N-[(3-aminophenyl)methyl]-4-chloro-N-propylbenzamide

C17H19ClN2O — CID 43459684

IUPACN-[(3-aminophenyl)methyl]-4-chloro-N-propylbenzamide
SMILESCCCN(Cc1cccc(N)c1)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H19ClN2O/c1-2-10-20(12-13-4-3-5-16(19)11-13)17(21)14-6-8-15(18)9-7-14/h3-9,11H,2,10,12,19H2,1H3
InChIKeyWXQWKZHWEPDYQR-UHFFFAOYSA-N
MW302.81 g/mol
LogP3.97
Rot. Bonds5

About N-[(3-aminophenyl)methyl]-4-chloro-N-propylbenzamide

N-[(3-aminophenyl)methyl]-4-chloro-N-propylbenzamide (PubChem CID 43459684) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is N-[(3-aminophenyl)methyl]-4-chloro-N-propylbenzamide.

Molecular Properties

Compound NameN-[(3-aminophenyl)methyl]-4-chloro-N-propylbenzamide
PubChem CID43459684
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC NameN-[(3-aminophenyl)methyl]-4-chloro-N-propylbenzamide
SMILESCCCN(Cc1cccc(N)c1)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H19ClN2O/c1-2-10-20(12-13-4-3-5-16(19)11-13)17(21)14-6-8-15(18)9-7-14/h3-9,11H,2,10,12,19H2,1H3
InChIKeyWXQWKZHWEPDYQR-UHFFFAOYSA-N
XLogP3.97
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-aminophenyl)methyl]-N-propylfuran-3-carboxamide
CID 43459665
N-[(3-aminophenyl)methyl]-2-hydroxy-N-propylbenzamide
CID 43459683
N-[(3-aminophenyl)methyl]-1-methyl-N-propylpyrazole-4-carboxamide
CID 43459645
N-[(3-aminophenyl)methyl]-N-ethyl-3,4-difluorobenzamide
CID 43458956
ethyl N-[(3-aminophenyl)methyl]-N-propylcarbamate
CID 43459708
N-[(3-aminophenyl)methyl]-2-phenyl-N-propylacetamide
CID 43459651
N-[(3-aminophenyl)methyl]-N-ethyl-4-iodobenzamide
CID 43458930
N-benzyl-3-chloro-N-propylbenzamide
CID 71026265
N-[(3-aminophenyl)methyl]-N-propylpentanamide
CID 43383967
N-[(3-aminophenyl)methyl]-N-propyl-1,3-thiazole-4-carboxamide
CID 63022155
N-[(3-aminophenyl)methyl]-N-ethylpyridine-4-carboxamide
CID 43459023
N-[(3-aminophenyl)methyl]-2-methoxy-2-methyl-N-propylpropanamide
CID 103017662

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminophenyl)methyl]-4-chloro-N-propylbenzamide?
The IUPAC name of N-[(3-aminophenyl)methyl]-4-chloro-N-propylbenzamide (CID 43459684) is N-[(3-aminophenyl)methyl]-4-chloro-N-propylbenzamide.
What is the SMILES notation for N-[(3-aminophenyl)methyl]-4-chloro-N-propylbenzamide?
The canonical SMILES for N-[(3-aminophenyl)methyl]-4-chloro-N-propylbenzamide is CCCN(Cc1cccc(N)c1)C(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-[(3-aminophenyl)methyl]-4-chloro-N-propylbenzamide?
The InChIKey is WXQWKZHWEPDYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-2-10-20(12-13-4-3-5-16(19)11-13)17(21)14-6-8-15(18)9-7-14/h3-9,11H,2,10,12,19H2,1H3.
What are the key properties of N-[(3-aminophenyl)methyl]-4-chloro-N-propylbenzamide?
N-[(3-aminophenyl)methyl]-4-chloro-N-propylbenzamide has a molecular weight of 302.81 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminophenyl)methyl]-4-chloro-N-propylbenzamide is sourced from PubChem (CID 43459684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).