4-amino-N-[1-(3,4-dichlorophenyl)ethyl]-3-methylbenzamide

C16H16Cl2N2O — CID 61249263

IUPAC4-amino-N-[1-(3,4-dichlorophenyl)ethyl]-3-methylbenzamide
SMILESCc1cc(C(=O)NC(C)c2ccc(Cl)c(Cl)c2)ccc1N
InChIInChI=1S/C16H16Cl2N2O/c1-9-7-12(4-6-15(9)19)16(21)20-10(2)11-3-5-13(17)14(18)8-11/h3-8,10H,19H2,1-2H3,(H,20,21)
InChIKeyNRLRHBURHPHTTQ-UHFFFAOYSA-N
MW323.22 g/mol
LogP4.38
Rot. Bonds3

About 4-amino-N-[1-(3,4-dichlorophenyl)ethyl]-3-methylbenzamide

4-amino-N-[1-(3,4-dichlorophenyl)ethyl]-3-methylbenzamide (PubChem CID 61249263) has the molecular formula C16H16Cl2N2O and a molecular weight of 323.22 g/mol. Its IUPAC name is 4-amino-N-[1-(3,4-dichlorophenyl)ethyl]-3-methylbenzamide.

Molecular Properties

Compound Name4-amino-N-[1-(3,4-dichlorophenyl)ethyl]-3-methylbenzamide
PubChem CID61249263
Molecular FormulaC16H16Cl2N2O
Molecular Weight323.22 g/mol
Exact Mass322.06
IUPAC Name4-amino-N-[1-(3,4-dichlorophenyl)ethyl]-3-methylbenzamide
SMILESCc1cc(C(=O)NC(C)c2ccc(Cl)c(Cl)c2)ccc1N
InChIInChI=1S/C16H16Cl2N2O/c1-9-7-12(4-6-15(9)19)16(21)20-10(2)11-3-5-13(17)14(18)8-11/h3-8,10H,19H2,1-2H3,(H,20,21)
InChIKeyNRLRHBURHPHTTQ-UHFFFAOYSA-N
XLogP4.38
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.22
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[1-(3,4-dichlorophenyl)ethyl]-3-fluorobenzamide
CID 63188927
4-amino-N-[1-(4-chlorophenyl)ethyl]-3-methylbenzamide
CID 61117490
4-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]-3-methylbenzamide
CID 81371582
4-amino-3-methyl-N-[(1R)-1-(3-methylphenyl)ethyl]benzamide
CID 81361437
3-amino-4-chloro-N-[(1S)-1-(4-methylphenyl)ethyl]benzamide
CID 81355966
N-[(1R)-1-(3,4-dichlorophenyl)ethyl]benzamide
CID 793526
3-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-4-chlorobenzamide
CID 81359194
4-amino-N-[1-(3-bromophenyl)ethyl]-3-methylbenzamide
CID 43699110
4-amino-3-chloro-N-[(1S)-1-(3-methylphenyl)ethyl]benzamide
CID 81360388
N-[1-(4-aminophenyl)ethyl]-3-bromo-4-chlorobenzamide
CID 107990822
3-bromo-5-chloro-N-[1-(3,4-dichlorophenyl)ethyl]benzamide
CID 107951762
2-(aminomethyl)-N-[1-(3,4-dichlorophenyl)ethyl]pyridine-4-carboxamide
CID 114326268

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(3,4-dichlorophenyl)ethyl]-3-methylbenzamide?
The IUPAC name of 4-amino-N-[1-(3,4-dichlorophenyl)ethyl]-3-methylbenzamide (CID 61249263) is 4-amino-N-[1-(3,4-dichlorophenyl)ethyl]-3-methylbenzamide.
What is the SMILES notation for 4-amino-N-[1-(3,4-dichlorophenyl)ethyl]-3-methylbenzamide?
The canonical SMILES for 4-amino-N-[1-(3,4-dichlorophenyl)ethyl]-3-methylbenzamide is Cc1cc(C(=O)NC(C)c2ccc(Cl)c(Cl)c2)ccc1N.
What is the InChIKey of 4-amino-N-[1-(3,4-dichlorophenyl)ethyl]-3-methylbenzamide?
The InChIKey is NRLRHBURHPHTTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O/c1-9-7-12(4-6-15(9)19)16(21)20-10(2)11-3-5-13(17)14(18)8-11/h3-8,10H,19H2,1-2H3,(H,20,21).
What are the key properties of 4-amino-N-[1-(3,4-dichlorophenyl)ethyl]-3-methylbenzamide?
4-amino-N-[1-(3,4-dichlorophenyl)ethyl]-3-methylbenzamide has a molecular weight of 323.22 g/mol, XLogP of 4.38, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-(3,4-dichlorophenyl)ethyl]-3-methylbenzamide is sourced from PubChem (CID 61249263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).