3-amino-4-chloro-N-ethyl-N-[(3-methylphenyl)methyl]benzamide

C17H19ClN2O — CID 60939220

IUPAC3-amino-4-chloro-N-ethyl-N-[(3-methylphenyl)methyl]benzamide
SMILESCCN(Cc1cccc(C)c1)C(=O)c1ccc(Cl)c(N)c1
InChIInChI=1S/C17H19ClN2O/c1-3-20(11-13-6-4-5-12(2)9-13)17(21)14-7-8-15(18)16(19)10-14/h4-10H,3,11,19H2,1-2H3
InChIKeyHNVHGDVJJRBTNY-UHFFFAOYSA-N
MW302.81 g/mol
LogP3.89
Rot. Bonds4

About 3-amino-4-chloro-N-ethyl-N-[(3-methylphenyl)methyl]benzamide

3-amino-4-chloro-N-ethyl-N-[(3-methylphenyl)methyl]benzamide (PubChem CID 60939220) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is 3-amino-4-chloro-N-ethyl-N-[(3-methylphenyl)methyl]benzamide.

Molecular Properties

Compound Name3-amino-4-chloro-N-ethyl-N-[(3-methylphenyl)methyl]benzamide
PubChem CID60939220
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC Name3-amino-4-chloro-N-ethyl-N-[(3-methylphenyl)methyl]benzamide
SMILESCCN(Cc1cccc(C)c1)C(=O)c1ccc(Cl)c(N)c1
InChIInChI=1S/C17H19ClN2O/c1-3-20(11-13-6-4-5-12(2)9-13)17(21)14-7-8-15(18)16(19)10-14/h4-10H,3,11,19H2,1-2H3
InChIKeyHNVHGDVJJRBTNY-UHFFFAOYSA-N
XLogP3.89
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 53.89
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

3-bromo-4-chloro-N-ethyl-N-[(3-methylphenyl)methyl]benzamide
CID 107999420
3-amino-N-ethyl-N-[(3-methylphenyl)methyl]benzamide
CID 60939211
2-amino-6-chloro-N-ethyl-N-[(3-methylphenyl)methyl]benzamide
CID 63658797
3-amino-4-bromo-N-[(3-chlorophenyl)methyl]-N-ethylbenzamide
CID 61104847
4-amino-N-ethyl-5-methyl-N-[(3-methylphenyl)methyl]thiophene-2-carboxamide
CID 61105975
3-amino-N-ethyl-4-fluoro-N-[(3-fluorophenyl)methyl]benzamide
CID 61138218
3-amino-4-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)benzamide
CID 55006686
[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl] 3-amino-4-chlorobenzoate
CID 9078876
3-amino-4-chloro-N-(cyclopropylmethyl)-N-ethylbenzamide
CID 63955717
3-amino-4-chloro-N-[(3-fluorophenyl)methyl]-N-methylbenzamide
CID 28801952
N-[(3-bromophenyl)methyl]-N-ethyl-4-methylbenzamide
CID 91416066
4-amino-N-benzyl-3,5-dichloro-N-ethylbenzamide
CID 82812598

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-chloro-N-ethyl-N-[(3-methylphenyl)methyl]benzamide?
The IUPAC name of 3-amino-4-chloro-N-ethyl-N-[(3-methylphenyl)methyl]benzamide (CID 60939220) is 3-amino-4-chloro-N-ethyl-N-[(3-methylphenyl)methyl]benzamide.
What is the SMILES notation for 3-amino-4-chloro-N-ethyl-N-[(3-methylphenyl)methyl]benzamide?
The canonical SMILES for 3-amino-4-chloro-N-ethyl-N-[(3-methylphenyl)methyl]benzamide is CCN(Cc1cccc(C)c1)C(=O)c1ccc(Cl)c(N)c1.
What is the InChIKey of 3-amino-4-chloro-N-ethyl-N-[(3-methylphenyl)methyl]benzamide?
The InChIKey is HNVHGDVJJRBTNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-3-20(11-13-6-4-5-12(2)9-13)17(21)14-7-8-15(18)16(19)10-14/h4-10H,3,11,19H2,1-2H3.
What are the key properties of 3-amino-4-chloro-N-ethyl-N-[(3-methylphenyl)methyl]benzamide?
3-amino-4-chloro-N-ethyl-N-[(3-methylphenyl)methyl]benzamide has a molecular weight of 302.81 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-chloro-N-ethyl-N-[(3-methylphenyl)methyl]benzamide is sourced from PubChem (CID 60939220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).