4-[[2-(4-chlorophenyl)ethylamino]methyl]benzamide

C16H17ClN2O — CID 43232715

IUPAC4-[[2-(4-chlorophenyl)ethylamino]methyl]benzamide
SMILESNC(=O)c1ccc(CNCCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H17ClN2O/c17-15-7-3-12(4-8-15)9-10-19-11-13-1-5-14(6-2-13)16(18)20/h1-8,19H,9-11H2,(H2,18,20)
InChIKeyPKYNHMDBWKTJQC-UHFFFAOYSA-N
MW288.78 g/mol
LogP2.77
Rot. Bonds6

About 4-[[2-(4-chlorophenyl)ethylamino]methyl]benzamide

4-[[2-(4-chlorophenyl)ethylamino]methyl]benzamide (PubChem CID 43232715) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is 4-[[2-(4-chlorophenyl)ethylamino]methyl]benzamide.

Molecular Properties

Compound Name4-[[2-(4-chlorophenyl)ethylamino]methyl]benzamide
PubChem CID43232715
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC Name4-[[2-(4-chlorophenyl)ethylamino]methyl]benzamide
SMILESNC(=O)c1ccc(CNCCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H17ClN2O/c17-15-7-3-12(4-8-15)9-10-19-11-13-1-5-14(6-2-13)16(18)20/h1-8,19H,9-11H2,(H2,18,20)
InChIKeyPKYNHMDBWKTJQC-UHFFFAOYSA-N
XLogP2.77
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[[(3-amino-3-oxopropyl)amino]methyl]benzamide
CID 43420714
4-[[2-(3-methylphenyl)ethylamino]methyl]benzamide
CID 62314630
4-[(4-chlorophenyl)methylamino]butanamide
CID 60865007
4-chloro(13C)benzamide
CID 175798194
4-chlorobenzamide
CID 12084
N-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)ethanamine
CID 4718091
2-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]ethanamine;hydrochloride
CID 17206419
4-[2-(4-carbamoylphenyl)ethyl]benzamide
CID 14507735
2-amino-3-[2-(4-chlorophenyl)ethylamino]propanamide
CID 103247068
4-[[2-(1,2,4-oxadiazol-5-yl)ethylamino]methyl]benzamide
CID 103744474
4-[[(4-chlorophenyl)methylamino]methyl]benzoic acid;hydrochloride
CID 6458865
4-[[(4-propan-2-ylphenyl)methylamino]methyl]benzamide
CID 60658050

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-chlorophenyl)ethylamino]methyl]benzamide?
The IUPAC name of 4-[[2-(4-chlorophenyl)ethylamino]methyl]benzamide (CID 43232715) is 4-[[2-(4-chlorophenyl)ethylamino]methyl]benzamide.
What is the SMILES notation for 4-[[2-(4-chlorophenyl)ethylamino]methyl]benzamide?
The canonical SMILES for 4-[[2-(4-chlorophenyl)ethylamino]methyl]benzamide is NC(=O)c1ccc(CNCCc2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[[2-(4-chlorophenyl)ethylamino]methyl]benzamide?
The InChIKey is PKYNHMDBWKTJQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O/c17-15-7-3-12(4-8-15)9-10-19-11-13-1-5-14(6-2-13)16(18)20/h1-8,19H,9-11H2,(H2,18,20).
What are the key properties of 4-[[2-(4-chlorophenyl)ethylamino]methyl]benzamide?
4-[[2-(4-chlorophenyl)ethylamino]methyl]benzamide has a molecular weight of 288.78 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-chlorophenyl)ethylamino]methyl]benzamide is sourced from PubChem (CID 43232715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).