2-chloro-4-[[4-(hydroxymethyl)phenyl]methylamino]-N-propylbenzamide

C18H21ClN2O2 — CID 110006570

IUPAC2-chloro-4-[[4-(hydroxymethyl)phenyl]methylamino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(NCc2ccc(CO)cc2)cc1Cl
InChIInChI=1S/C18H21ClN2O2/c1-2-9-20-18(23)16-8-7-15(10-17(16)19)21-11-13-3-5-14(12-22)6-4-13/h3-8,10,21-22H,2,9,11-12H2,1H3,(H,20,23)
InChIKeyHTMVRFKVUVGCFX-UHFFFAOYSA-N
MW332.83 g/mol
LogP3.58
Rot. Bonds7

About 2-chloro-4-[[4-(hydroxymethyl)phenyl]methylamino]-N-propylbenzamide

2-chloro-4-[[4-(hydroxymethyl)phenyl]methylamino]-N-propylbenzamide (PubChem CID 110006570) has the molecular formula C18H21ClN2O2 and a molecular weight of 332.83 g/mol. Its IUPAC name is 2-chloro-4-[[4-(hydroxymethyl)phenyl]methylamino]-N-propylbenzamide.

Molecular Properties

Compound Name2-chloro-4-[[4-(hydroxymethyl)phenyl]methylamino]-N-propylbenzamide
PubChem CID110006570
Molecular FormulaC18H21ClN2O2
Molecular Weight332.83 g/mol
Exact Mass332.13
IUPAC Name2-chloro-4-[[4-(hydroxymethyl)phenyl]methylamino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(NCc2ccc(CO)cc2)cc1Cl
InChIInChI=1S/C18H21ClN2O2/c1-2-9-20-18(23)16-8-7-15(10-17(16)19)21-11-13-3-5-14(12-22)6-4-13/h3-8,10,21-22H,2,9,11-12H2,1H3,(H,20,23)
InChIKeyHTMVRFKVUVGCFX-UHFFFAOYSA-N
XLogP3.58
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 53.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-(2-methylbutan-2-yl)-4-[[2-oxo-2-(propylamino)ethyl]amino]benzamide
CID 60539228
3-[[3-chloro-4-(propylcarbamoyl)phenyl]carbamoyl-methylamino]propanoic acid
CID 122077547
3-[(4-methylphenyl)methylamino]-N-propylbenzamide
CID 43675970
2-chloro-4-[(4-methylsulfanylphenyl)methylamino]benzamide
CID 43736377
N-[3-chloro-4-(propylcarbamoyl)phenyl]-3,4-diethoxybenzamide
CID 60576494
[4-[(4-chloro-3-methoxyanilino)methyl]phenyl]methanol
CID 107266036
4-[(4-amino-3-methoxybutanoyl)amino]-2-chloro-N-propylbenzamide
CID 120590141
4-(3-hydroxypropylamino)-2-methyl-N-propylbenzamide
CID 142889038
3-[(4-fluorophenyl)methylamino]-N-propylbenzamide
CID 43675966
4-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-2-chloro-N-propylbenzamide;hydrochloride
CID 119747993
ethyl 2-chloro-4-(propylamino)benzoate
CID 154119419
N-[5-[[4-(hydroxymethyl)phenyl]methylamino]-2-methylphenyl]acetamide
CID 110006528

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[[4-(hydroxymethyl)phenyl]methylamino]-N-propylbenzamide?
The IUPAC name of 2-chloro-4-[[4-(hydroxymethyl)phenyl]methylamino]-N-propylbenzamide (CID 110006570) is 2-chloro-4-[[4-(hydroxymethyl)phenyl]methylamino]-N-propylbenzamide.
What is the SMILES notation for 2-chloro-4-[[4-(hydroxymethyl)phenyl]methylamino]-N-propylbenzamide?
The canonical SMILES for 2-chloro-4-[[4-(hydroxymethyl)phenyl]methylamino]-N-propylbenzamide is CCCNC(=O)c1ccc(NCc2ccc(CO)cc2)cc1Cl.
What is the InChIKey of 2-chloro-4-[[4-(hydroxymethyl)phenyl]methylamino]-N-propylbenzamide?
The InChIKey is HTMVRFKVUVGCFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O2/c1-2-9-20-18(23)16-8-7-15(10-17(16)19)21-11-13-3-5-14(12-22)6-4-13/h3-8,10,21-22H,2,9,11-12H2,1H3,(H,20,23).
What are the key properties of 2-chloro-4-[[4-(hydroxymethyl)phenyl]methylamino]-N-propylbenzamide?
2-chloro-4-[[4-(hydroxymethyl)phenyl]methylamino]-N-propylbenzamide has a molecular weight of 332.83 g/mol, XLogP of 3.58, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[[4-(hydroxymethyl)phenyl]methylamino]-N-propylbenzamide is sourced from PubChem (CID 110006570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).