2-amino-3-chloro-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-N-methylbenzamide

C17H18ClN3O2 — CID 10853998

IUPAC2-amino-3-chloro-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-N-methylbenzamide
SMILESCOc1ccc(/C(C)=N\N(C)C(=O)c2cccc(Cl)c2N)cc1
InChIInChI=1S/C17H18ClN3O2/c1-11(12-7-9-13(23-3)10-8-12)20-21(2)17(22)14-5-4-6-15(18)16(14)19/h4-10H,19H2,1-3H3/b20-11-
InChIKeyDVRLALUNUJOGCG-JAIQZWGSSA-N
MW331.80 g/mol
LogP3.43
Rot. Bonds4

About 2-amino-3-chloro-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-N-methylbenzamide

2-amino-3-chloro-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-N-methylbenzamide (PubChem CID 10853998) has the molecular formula C17H18ClN3O2 and a molecular weight of 331.80 g/mol. Its IUPAC name is 2-amino-3-chloro-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-N-methylbenzamide.

Molecular Properties

Compound Name2-amino-3-chloro-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-N-methylbenzamide
PubChem CID10853998
Molecular FormulaC17H18ClN3O2
Molecular Weight331.80 g/mol
Exact Mass331.11
IUPAC Name2-amino-3-chloro-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-N-methylbenzamide
SMILESCOc1ccc(/C(C)=N\N(C)C(=O)c2cccc(Cl)c2N)cc1
InChIInChI=1S/C17H18ClN3O2/c1-11(12-7-9-13(23-3)10-8-12)20-21(2)17(22)14-5-4-6-15(18)16(14)19/h4-10H,19H2,1-3H3/b20-11-
InChIKeyDVRLALUNUJOGCG-JAIQZWGSSA-N
XLogP3.43
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[1-(4-methoxyphenyl)ethylideneamino]aniline
CID 84921584
N-[1-(3-chloro-2-hydroxyphenyl)ethylideneamino]-4-methoxybenzamide
CID 137121413
N-[4-(2-amino-3-chlorobenzoyl)phenyl]-N-methylformamide
CID 115549784
2-chloro-N'-(4-methoxybenzoyl)benzohydrazide
CID 2170875
2-amino-3-chloro-N-[(3-chlorophenyl)methyl]-N-methylbenzamide
CID 115540200
methyl 2-amino-3-(4-methoxybenzoyl)benzoate
CID 18694348
(2-chlorophenyl)-(6-methoxynaphthalen-2-yl)methanone
CID 63491320
N-(2,6-dichlorophenyl)-N-(4-methoxyphenyl)benzamide
CID 154952087
methyl 2-amino-3-(4-methoxy-N-methylanilino)benzoate
CID 115545752
(2-amino-3-chlorophenyl)-(4-chlorophenyl)methanone
CID 15634745
(2-fluoro-4-methoxyphenyl)methyl 2-amino-3-chlorobenzoate
CID 102878422
4-methoxy-N'-(4-methoxybenzoyl)-N,N'-dimethylbenzohydrazide
CID 14949074

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-chloro-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-N-methylbenzamide?
The IUPAC name of 2-amino-3-chloro-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-N-methylbenzamide (CID 10853998) is 2-amino-3-chloro-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-N-methylbenzamide.
What is the SMILES notation for 2-amino-3-chloro-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-N-methylbenzamide?
The canonical SMILES for 2-amino-3-chloro-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-N-methylbenzamide is COc1ccc(/C(C)=N\N(C)C(=O)c2cccc(Cl)c2N)cc1.
What is the InChIKey of 2-amino-3-chloro-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-N-methylbenzamide?
The InChIKey is DVRLALUNUJOGCG-JAIQZWGSSA-N. The full InChI is InChI=1S/C17H18ClN3O2/c1-11(12-7-9-13(23-3)10-8-12)20-21(2)17(22)14-5-4-6-15(18)16(14)19/h4-10H,19H2,1-3H3/b20-11-.
What are the key properties of 2-amino-3-chloro-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-N-methylbenzamide?
2-amino-3-chloro-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-N-methylbenzamide has a molecular weight of 331.80 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-chloro-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-N-methylbenzamide is sourced from PubChem (CID 10853998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).