N-[5-chloro-4-[[ethyl(methyl)amino]methylideneamino]-2-methylphenyl]-N-[(2,5-dimethylphenyl)methyl]formamide

C21H26ClN3O — CID 146381003

IUPACN-[5-chloro-4-[[ethyl(methyl)amino]methylideneamino]-2-methylphenyl]-N-[(2,5-dimethylphenyl)methyl]formamide
SMILESCCN(C)/C=N/c1cc(C)c(N(C=O)Cc2cc(C)ccc2C)cc1Cl
InChIInChI=1S/C21H26ClN3O/c1-6-24(5)13-23-20-10-17(4)21(11-19(20)22)25(14-26)12-18-9-15(2)7-8-16(18)3/h7-11,13-14H,6,12H2,1-5H3/b23-13+
InChIKeyKVVGHGKKWWBLKH-YDZHTSKRSA-N
MW371.91 g/mol
LogP5.04
Rot. Bonds7

About N-[5-chloro-4-[[ethyl(methyl)amino]methylideneamino]-2-methylphenyl]-N-[(2,5-dimethylphenyl)methyl]formamide

N-[5-chloro-4-[[ethyl(methyl)amino]methylideneamino]-2-methylphenyl]-N-[(2,5-dimethylphenyl)methyl]formamide (PubChem CID 146381003) has the molecular formula C21H26ClN3O and a molecular weight of 371.91 g/mol. Its IUPAC name is N-[5-chloro-4-[[ethyl(methyl)amino]methylideneamino]-2-methylphenyl]-N-[(2,5-dimethylphenyl)methyl]formamide.

Molecular Properties

Compound NameN-[5-chloro-4-[[ethyl(methyl)amino]methylideneamino]-2-methylphenyl]-N-[(2,5-dimethylphenyl)methyl]formamide
PubChem CID146381003
Molecular FormulaC21H26ClN3O
Molecular Weight371.91 g/mol
Exact Mass371.18
IUPAC NameN-[5-chloro-4-[[ethyl(methyl)amino]methylideneamino]-2-methylphenyl]-N-[(2,5-dimethylphenyl)methyl]formamide
SMILESCCN(C)/C=N/c1cc(C)c(N(C=O)Cc2cc(C)ccc2C)cc1Cl
InChIInChI=1S/C21H26ClN3O/c1-6-24(5)13-23-20-10-17(4)21(11-19(20)22)25(14-26)12-18-9-15(2)7-8-16(18)3/h7-11,13-14H,6,12H2,1-5H3/b23-13+
InChIKeyKVVGHGKKWWBLKH-YDZHTSKRSA-N
XLogP5.04
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.91
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-[2,5-dichloro-4-(2,5-dimethylanilino)phenyl]-N-ethyl-N-methylmethanimidamide
CID 146197650
N'-(2,5-dimethylphenyl)-N-ethyl-N-methylmethanimidamide
CID 66796149
N'-[2-chloro-4-(2-fluoro-5-methylanilino)-5-methylphenyl]-N-ethyl-N-methylmethanimidamide
CID 146197712
N'-[2-chloro-5-methyl-4-(3,4,5-trifluoro-N-methylanilino)phenyl]-N-ethyl-N-methylmethanimidamide
CID 142322913
(2-fluoro-4-methylphenyl)methyl 5-chloro-4-[[ethyl(methyl)amino]methylideneamino]-2-methylbenzoate
CID 155325412
N'-[2-chloro-5-methyl-4-[N-methyl-3,5-bis(trifluoromethyl)anilino]phenyl]-N-ethyl-N-methylmethanimidamide
CID 142322821
N'-[2-chloro-5-methyl-4-[N-methyl-3-(trifluoromethyl)anilino]phenyl]-N-ethyl-N-methylmethanimidamide
CID 142322898
N'-[2-chloro-4-(2-fluorophenyl)sulfanyl-5-methylphenyl]-N-ethyl-N-methylmethanimidamide
CID 162391810
N'-[4-(N,4-dimethylanilino)-5-methyl-2-methylsulfonylphenyl]-N-ethyl-N-methylmethanimidamide
CID 146197707
N'-[2-chloro-4-[3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-5-methylphenyl]-N-ethyl-N-methylmethanimidamide
CID 154664873
tert-butyl 3-[5-chloro-4-[[ethyl(methyl)amino]methylideneamino]-2-methylphenyl]-3-hydroxyazetidine-1-carboxylate
CID 167445132
N'-[2-chloro-4-[2-(4-chlorophenoxy)acetyl]-5-methylphenyl]-N-ethyl-N-methylmethanimidamide
CID 135362957

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-4-[[ethyl(methyl)amino]methylideneamino]-2-methylphenyl]-N-[(2,5-dimethylphenyl)methyl]formamide?
The IUPAC name of N-[5-chloro-4-[[ethyl(methyl)amino]methylideneamino]-2-methylphenyl]-N-[(2,5-dimethylphenyl)methyl]formamide (CID 146381003) is N-[5-chloro-4-[[ethyl(methyl)amino]methylideneamino]-2-methylphenyl]-N-[(2,5-dimethylphenyl)methyl]formamide.
What is the SMILES notation for N-[5-chloro-4-[[ethyl(methyl)amino]methylideneamino]-2-methylphenyl]-N-[(2,5-dimethylphenyl)methyl]formamide?
The canonical SMILES for N-[5-chloro-4-[[ethyl(methyl)amino]methylideneamino]-2-methylphenyl]-N-[(2,5-dimethylphenyl)methyl]formamide is CCN(C)/C=N/c1cc(C)c(N(C=O)Cc2cc(C)ccc2C)cc1Cl.
What is the InChIKey of N-[5-chloro-4-[[ethyl(methyl)amino]methylideneamino]-2-methylphenyl]-N-[(2,5-dimethylphenyl)methyl]formamide?
The InChIKey is KVVGHGKKWWBLKH-YDZHTSKRSA-N. The full InChI is InChI=1S/C21H26ClN3O/c1-6-24(5)13-23-20-10-17(4)21(11-19(20)22)25(14-26)12-18-9-15(2)7-8-16(18)3/h7-11,13-14H,6,12H2,1-5H3/b23-13+.
What are the key properties of N-[5-chloro-4-[[ethyl(methyl)amino]methylideneamino]-2-methylphenyl]-N-[(2,5-dimethylphenyl)methyl]formamide?
N-[5-chloro-4-[[ethyl(methyl)amino]methylideneamino]-2-methylphenyl]-N-[(2,5-dimethylphenyl)methyl]formamide has a molecular weight of 371.91 g/mol, XLogP of 5.04, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-4-[[ethyl(methyl)amino]methylideneamino]-2-methylphenyl]-N-[(2,5-dimethylphenyl)methyl]formamide is sourced from PubChem (CID 146381003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).