N-[4-(cyanomethyl)phenyl]-2-[(3,4-dichlorophenyl)methyl-methylamino]acetamide

C18H17Cl2N3O — CID 9041893

IUPACN-[4-(cyanomethyl)phenyl]-2-[(3,4-dichlorophenyl)methyl-methylamino]acetamide
SMILESCN(CC(=O)Nc1ccc(CC#N)cc1)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H17Cl2N3O/c1-23(11-14-4-7-16(19)17(20)10-14)12-18(24)22-15-5-2-13(3-6-15)8-9-21/h2-7,10H,8,11-12H2,1H3,(H,22,24)
InChIKeyQDJZUXIIGOPMGJ-UHFFFAOYSA-N
MW362.26 g/mol
LogP4.13
Rot. Bonds6

About N-[4-(cyanomethyl)phenyl]-2-[(3,4-dichlorophenyl)methyl-methylamino]acetamide

N-[4-(cyanomethyl)phenyl]-2-[(3,4-dichlorophenyl)methyl-methylamino]acetamide (PubChem CID 9041893) has the molecular formula C18H17Cl2N3O and a molecular weight of 362.26 g/mol. Its IUPAC name is N-[4-(cyanomethyl)phenyl]-2-[(3,4-dichlorophenyl)methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-[4-(cyanomethyl)phenyl]-2-[(3,4-dichlorophenyl)methyl-methylamino]acetamide
PubChem CID9041893
Molecular FormulaC18H17Cl2N3O
Molecular Weight362.26 g/mol
Exact Mass361.07
IUPAC NameN-[4-(cyanomethyl)phenyl]-2-[(3,4-dichlorophenyl)methyl-methylamino]acetamide
SMILESCN(CC(=O)Nc1ccc(CC#N)cc1)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H17Cl2N3O/c1-23(11-14-4-7-16(19)17(20)10-14)12-18(24)22-15-5-2-13(3-6-15)8-9-21/h2-7,10H,8,11-12H2,1H3,(H,22,24)
InChIKeyQDJZUXIIGOPMGJ-UHFFFAOYSA-N
XLogP4.13
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.26
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[4-(cyanomethyl)phenyl]-2-[(3,4-dichlorophenyl)methyl-methylamino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(cyanomethyl)phenyl]-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]acetamide
CID 9054311
N-[4-(cyanomethyl)phenyl]-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]acetamide
CID 9041614
N-[4-(cyanomethyl)phenyl]-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]acetamide
CID 9042633
[2-[4-(cyanomethyl)anilino]-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate
CID 8871895
2-[3-cyanopropyl(methyl)amino]-N-(3,4-dichlorophenyl)acetamide
CID 17415308
3,4-dichloro-N-[4-(cyanomethyl)phenyl]benzamide
CID 674696
N-(3,4-dichlorophenyl)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetamide
CID 9432773
methyl 3-[[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]methyl]benzoate
CID 9198110
methyl 2-[(3,4-dichlorophenyl)methyl-methylamino]acetate
CID 60670410
2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-methylamino]-N-(3,4-dichlorophenyl)acetamide
CID 9043158
2-(4-acetamidophenyl)-N-[4-(cyanomethyl)phenyl]acetamide
CID 26375554
N-(4-chlorophenyl)-2-[(3-cyanophenyl)methyl-methylamino]acetamide;oxalic acid
CID 17401819

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyanomethyl)phenyl]-2-[(3,4-dichlorophenyl)methyl-methylamino]acetamide?
The IUPAC name of N-[4-(cyanomethyl)phenyl]-2-[(3,4-dichlorophenyl)methyl-methylamino]acetamide (CID 9041893) is N-[4-(cyanomethyl)phenyl]-2-[(3,4-dichlorophenyl)methyl-methylamino]acetamide.
What is the SMILES notation for N-[4-(cyanomethyl)phenyl]-2-[(3,4-dichlorophenyl)methyl-methylamino]acetamide?
The canonical SMILES for N-[4-(cyanomethyl)phenyl]-2-[(3,4-dichlorophenyl)methyl-methylamino]acetamide is CN(CC(=O)Nc1ccc(CC#N)cc1)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[4-(cyanomethyl)phenyl]-2-[(3,4-dichlorophenyl)methyl-methylamino]acetamide?
The InChIKey is QDJZUXIIGOPMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2N3O/c1-23(11-14-4-7-16(19)17(20)10-14)12-18(24)22-15-5-2-13(3-6-15)8-9-21/h2-7,10H,8,11-12H2,1H3,(H,22,24).
What are the key properties of N-[4-(cyanomethyl)phenyl]-2-[(3,4-dichlorophenyl)methyl-methylamino]acetamide?
N-[4-(cyanomethyl)phenyl]-2-[(3,4-dichlorophenyl)methyl-methylamino]acetamide has a molecular weight of 362.26 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyanomethyl)phenyl]-2-[(3,4-dichlorophenyl)methyl-methylamino]acetamide is sourced from PubChem (CID 9041893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).