3-[(1-amino-2-chloroethylidene)amino]-4-methoxy-N-methylbenzamide

C11H14ClN3O2 — CID 169366293

IUPAC3-[(1-amino-2-chloroethylidene)amino]-4-methoxy-N-methylbenzamide
SMILESCNC(=O)c1ccc(OC)c(/N=C(/N)CCl)c1
InChIInChI=1S/C11H14ClN3O2/c1-14-11(16)7-3-4-9(17-2)8(5-7)15-10(13)6-12/h3-5H,6H2,1-2H3,(H2,13,15)(H,14,16)
InChIKeyIGIZJHXTAFQIMT-UHFFFAOYSA-N
MW255.71 g/mol
LogP1.28
Rot. Bonds4

About 3-[(1-amino-2-chloroethylidene)amino]-4-methoxy-N-methylbenzamide

3-[(1-amino-2-chloroethylidene)amino]-4-methoxy-N-methylbenzamide (PubChem CID 169366293) has the molecular formula C11H14ClN3O2 and a molecular weight of 255.71 g/mol. Its IUPAC name is 3-[(1-amino-2-chloroethylidene)amino]-4-methoxy-N-methylbenzamide.

Molecular Properties

Compound Name3-[(1-amino-2-chloroethylidene)amino]-4-methoxy-N-methylbenzamide
PubChem CID169366293
Molecular FormulaC11H14ClN3O2
Molecular Weight255.71 g/mol
Exact Mass255.08
IUPAC Name3-[(1-amino-2-chloroethylidene)amino]-4-methoxy-N-methylbenzamide
SMILESCNC(=O)c1ccc(OC)c(/N=C(/N)CCl)c1
InChIInChI=1S/C11H14ClN3O2/c1-14-11(16)7-3-4-9(17-2)8(5-7)15-10(13)6-12/h3-5H,6H2,1-2H3,(H2,13,15)(H,14,16)
InChIKeyIGIZJHXTAFQIMT-UHFFFAOYSA-N
XLogP1.28
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.71
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(1-amino-2-chloroethylidene)amino]-N,4-dimethylbenzamide
CID 169365893
3-[(1-amino-2-chloroethylidene)amino]-4-methoxy-N,N-dimethylbenzamide
CID 169365940
4-[(1-amino-2-chloroethylidene)amino]-3-methoxybenzoic acid
CID 169365205
N'-(5-tert-butyl-2-methoxyphenyl)-2-chloroethanimidamide
CID 169369525
3-[(1-amino-2-methoxyethylidene)amino]-4-methoxybenzoic acid
CID 154448738
methyl 3-[[1-amino-2-(2-methoxyphenoxy)ethylidene]amino]-4-methoxybenzoate
CID 18364959
2-[(1-amino-2-chloroethylidene)amino]-N-(3,4-dimethoxyphenyl)benzamide
CID 169369448
methyl 4-[(1-amino-2-chloroethylidene)amino]-3-methylbenzoate
CID 169364915
3-[(1-amino-2-chloroethylidene)amino]-N-cyclopropyl-4-methylbenzamide
CID 169366359
methyl 3-[[1-amino-3-(4-fluorophenyl)-3-oxopropylidene]amino]-4-methoxybenzoate
CID 58608673
2-chloro-N'-(4-chloro-2,5-dimethoxyphenyl)ethanimidamide
CID 169369656
methyl 3-[(1-amino-2-phenoxyethylidene)amino]-4-methoxybenzoate
CID 54202890

Frequently Asked Questions

What is the IUPAC name of 3-[(1-amino-2-chloroethylidene)amino]-4-methoxy-N-methylbenzamide?
The IUPAC name of 3-[(1-amino-2-chloroethylidene)amino]-4-methoxy-N-methylbenzamide (CID 169366293) is 3-[(1-amino-2-chloroethylidene)amino]-4-methoxy-N-methylbenzamide.
What is the SMILES notation for 3-[(1-amino-2-chloroethylidene)amino]-4-methoxy-N-methylbenzamide?
The canonical SMILES for 3-[(1-amino-2-chloroethylidene)amino]-4-methoxy-N-methylbenzamide is CNC(=O)c1ccc(OC)c(/N=C(/N)CCl)c1.
What is the InChIKey of 3-[(1-amino-2-chloroethylidene)amino]-4-methoxy-N-methylbenzamide?
The InChIKey is IGIZJHXTAFQIMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O2/c1-14-11(16)7-3-4-9(17-2)8(5-7)15-10(13)6-12/h3-5H,6H2,1-2H3,(H2,13,15)(H,14,16).
What are the key properties of 3-[(1-amino-2-chloroethylidene)amino]-4-methoxy-N-methylbenzamide?
3-[(1-amino-2-chloroethylidene)amino]-4-methoxy-N-methylbenzamide has a molecular weight of 255.71 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-amino-2-chloroethylidene)amino]-4-methoxy-N-methylbenzamide is sourced from PubChem (CID 169366293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).