N-(3-chlorophenyl)-2-[2-(hydroxymethyl)anilino]propanamide

C16H17ClN2O2 — CID 4884151

IUPACN-(3-chlorophenyl)-2-[2-(hydroxymethyl)anilino]propanamide
SMILESCC(Nc1ccccc1CO)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C16H17ClN2O2/c1-11(18-15-8-3-2-5-12(15)10-20)16(21)19-14-7-4-6-13(17)9-14/h2-9,11,18,20H,10H2,1H3,(H,19,21)
InChIKeyNKXWDGRBVAMOMI-UHFFFAOYSA-N
MW304.78 g/mol
LogP3.27
Rot. Bonds5

About N-(3-chlorophenyl)-2-[2-(hydroxymethyl)anilino]propanamide

N-(3-chlorophenyl)-2-[2-(hydroxymethyl)anilino]propanamide (PubChem CID 4884151) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[2-(hydroxymethyl)anilino]propanamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[2-(hydroxymethyl)anilino]propanamide
PubChem CID4884151
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC NameN-(3-chlorophenyl)-2-[2-(hydroxymethyl)anilino]propanamide
SMILESCC(Nc1ccccc1CO)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C16H17ClN2O2/c1-11(18-15-8-3-2-5-12(15)10-20)16(21)19-14-7-4-6-13(17)9-14/h2-9,11,18,20H,10H2,1H3,(H,19,21)
InChIKeyNKXWDGRBVAMOMI-UHFFFAOYSA-N
XLogP3.27
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dichlorophenyl)-2-[2-(hydroxymethyl)anilino]propanamide
CID 4882119
(1R)-2-[[(2R)-1-anilinopropan-2-yl]amino]-1-(3-chlorophenyl)ethanol
CID 10902809
N-[[4-[[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]amino]phenyl]methyl]acetamide
CID 11810896
(2R)-3-(2,4-dichlorophenyl)-1-(4-(2-(1-hydroxy-3-methylbutyl)phenyl)piperazin-1-yl)-2-(isopropylamino)propan-1-one
CID 44562362
(R)-3-amino-N-(3-(2,4-dichlorophenyl)-1-(4-(2-(hydroxymethyl)phenyl)piperazin-1-yl)-1-oxopropan-2-yl)propanamide
CID 44562496
Acetamide, N-(4-chloro-2-(hydroxyphenylmethyl)phenyl)-2-(diethylamino)-, monohydrochloride
CID 198249
{1-[2-(3-Chloro-phenylamino)-ethylcarbamoyl]-3-methyl-butyl}-carbamic acid benzyl ester
CID 10938642
N-(3-chloro-2-methylphenyl)-2-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]acetamide
CID 2960774
N-[4-[[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]methyl]phenyl]acetamide
CID 51077005
N-(3-chlorophenyl)-4-hydroxy-1-(2-methylpropyl)-2-oxo-1,2-dihydroquinoline-3-carboxamide
CID 54679607
N1-(3-chloro-4-fluorophenyl)-N2-(2-hydroxy-2-phenylpropyl)oxalamide
CID 56765401
N1-(3-chloro-2-methylphenyl)-N2-(2-hydroxy-2-(4-(trifluoromethyl)phenyl)ethyl)oxalamide
CID 56765511

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[2-(hydroxymethyl)anilino]propanamide?
The IUPAC name of N-(3-chlorophenyl)-2-[2-(hydroxymethyl)anilino]propanamide (CID 4884151) is N-(3-chlorophenyl)-2-[2-(hydroxymethyl)anilino]propanamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-[2-(hydroxymethyl)anilino]propanamide?
The canonical SMILES for N-(3-chlorophenyl)-2-[2-(hydroxymethyl)anilino]propanamide is CC(Nc1ccccc1CO)C(=O)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-2-[2-(hydroxymethyl)anilino]propanamide?
The InChIKey is NKXWDGRBVAMOMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-11(18-15-8-3-2-5-12(15)10-20)16(21)19-14-7-4-6-13(17)9-14/h2-9,11,18,20H,10H2,1H3,(H,19,21).
What are the key properties of N-(3-chlorophenyl)-2-[2-(hydroxymethyl)anilino]propanamide?
N-(3-chlorophenyl)-2-[2-(hydroxymethyl)anilino]propanamide has a molecular weight of 304.78 g/mol, XLogP of 3.27, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-[2-(hydroxymethyl)anilino]propanamide is sourced from PubChem (CID 4884151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).