3-amino-4-(3-chloro-4-methoxyanilino)-N-propylbenzamide

C17H20ClN3O2 — CID 100631228

IUPAC3-amino-4-(3-chloro-4-methoxyanilino)-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(Nc2ccc(OC)c(Cl)c2)c(N)c1
InChIInChI=1S/C17H20ClN3O2/c1-3-8-20-17(22)11-4-6-15(14(19)9-11)21-12-5-7-16(23-2)13(18)10-12/h4-7,9-10,21H,3,8,19H2,1-2H3,(H,20,22)
InChIKeyFVZCUHSEIKWLSI-UHFFFAOYSA-N
MW333.82 g/mol
LogP3.81
Rot. Bonds6

About 3-amino-4-(3-chloro-4-methoxyanilino)-N-propylbenzamide

3-amino-4-(3-chloro-4-methoxyanilino)-N-propylbenzamide (PubChem CID 100631228) has the molecular formula C17H20ClN3O2 and a molecular weight of 333.82 g/mol. Its IUPAC name is 3-amino-4-(3-chloro-4-methoxyanilino)-N-propylbenzamide.

Molecular Properties

Compound Name3-amino-4-(3-chloro-4-methoxyanilino)-N-propylbenzamide
PubChem CID100631228
Molecular FormulaC17H20ClN3O2
Molecular Weight333.82 g/mol
Exact Mass333.12
IUPAC Name3-amino-4-(3-chloro-4-methoxyanilino)-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(Nc2ccc(OC)c(Cl)c2)c(N)c1
InChIInChI=1S/C17H20ClN3O2/c1-3-8-20-17(22)11-4-6-15(14(19)9-11)21-12-5-7-16(23-2)13(18)10-12/h4-7,9-10,21H,3,8,19H2,1-2H3,(H,20,22)
InChIKeyFVZCUHSEIKWLSI-UHFFFAOYSA-N
XLogP3.81
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 53.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-4-(3,4-dichloroanilino)-N-propylbenzamide
CID 100628453
3-amino-4-(3,4-dimethylanilino)-N-propylbenzamide
CID 100624621
3-amino-4-(3,5-dichloroanilino)-N-propylbenzamide
CID 100628629
3-amino-4-(2-methoxyanilino)-N-propylbenzamide
CID 100629061
4-amino-3-methoxy-N-propylbenzamide
CID 67095444
3-amino-4-(4-ethylanilino)-N-(2-methoxyethyl)benzamide
CID 100625211
3-amino-4-(3,4-dimethoxyanilino)benzamide
CID 43448410
N-butyl-6-(3-chloro-4-methoxyanilino)pyridine-3-carboxamide
CID 109151743
3-amino-4-(2-ethoxyanilino)-N-propylbenzamide
CID 100629601
2-N-(3-chloro-4-methoxyphenyl)-4,5-dimethoxybenzene-1,2-diamine
CID 83004208
3-amino-4-(2,5-dimethoxyanilino)-N-(2-methoxyethyl)benzamide
CID 100630644
2-(3-chloro-4-methoxyanilino)-N-pentylpyrimidine-5-carboxamide
CID 109263674

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(3-chloro-4-methoxyanilino)-N-propylbenzamide?
The IUPAC name of 3-amino-4-(3-chloro-4-methoxyanilino)-N-propylbenzamide (CID 100631228) is 3-amino-4-(3-chloro-4-methoxyanilino)-N-propylbenzamide.
What is the SMILES notation for 3-amino-4-(3-chloro-4-methoxyanilino)-N-propylbenzamide?
The canonical SMILES for 3-amino-4-(3-chloro-4-methoxyanilino)-N-propylbenzamide is CCCNC(=O)c1ccc(Nc2ccc(OC)c(Cl)c2)c(N)c1.
What is the InChIKey of 3-amino-4-(3-chloro-4-methoxyanilino)-N-propylbenzamide?
The InChIKey is FVZCUHSEIKWLSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O2/c1-3-8-20-17(22)11-4-6-15(14(19)9-11)21-12-5-7-16(23-2)13(18)10-12/h4-7,9-10,21H,3,8,19H2,1-2H3,(H,20,22).
What are the key properties of 3-amino-4-(3-chloro-4-methoxyanilino)-N-propylbenzamide?
3-amino-4-(3-chloro-4-methoxyanilino)-N-propylbenzamide has a molecular weight of 333.82 g/mol, XLogP of 3.81, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(3-chloro-4-methoxyanilino)-N-propylbenzamide is sourced from PubChem (CID 100631228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).