N-(5-chloro-2-methoxyphenyl)-2-[3-(hydroxymethyl)anilino]propanamide

C17H19ClN2O3 — CID 42911755

IUPACN-(5-chloro-2-methoxyphenyl)-2-[3-(hydroxymethyl)anilino]propanamide
SMILESCOc1ccc(Cl)cc1NC(=O)C(C)Nc1cccc(CO)c1
InChIInChI=1S/C17H19ClN2O3/c1-11(19-14-5-3-4-12(8-14)10-21)17(22)20-15-9-13(18)6-7-16(15)23-2/h3-9,11,19,21H,10H2,1-2H3,(H,20,22)
InChIKeySXCZUYQNQDZXBL-UHFFFAOYSA-N
MW334.80 g/mol
LogP3.28
Rot. Bonds6

About N-(5-chloro-2-methoxyphenyl)-2-[3-(hydroxymethyl)anilino]propanamide

N-(5-chloro-2-methoxyphenyl)-2-[3-(hydroxymethyl)anilino]propanamide (PubChem CID 42911755) has the molecular formula C17H19ClN2O3 and a molecular weight of 334.80 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-[3-(hydroxymethyl)anilino]propanamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-[3-(hydroxymethyl)anilino]propanamide
PubChem CID42911755
Molecular FormulaC17H19ClN2O3
Molecular Weight334.80 g/mol
Exact Mass334.11
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-[3-(hydroxymethyl)anilino]propanamide
SMILESCOc1ccc(Cl)cc1NC(=O)C(C)Nc1cccc(CO)c1
InChIInChI=1S/C17H19ClN2O3/c1-11(19-14-5-3-4-12(8-14)10-21)17(22)20-15-9-13(18)6-7-16(15)23-2/h3-9,11,19,21H,10H2,1-2H3,(H,20,22)
InChIKeySXCZUYQNQDZXBL-UHFFFAOYSA-N
XLogP3.28
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.80
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-acetamidoanilino)-N-(5-chloro-2-methoxyphenyl)propanamide
CID 17480510
(2R)-N-(5-chloro-2-methoxyphenyl)-2-(4-ethylanilino)propanamide
CID 7928705
(2S)-N-(5-chloro-2-methoxyphenyl)-2-(4,5-dimethoxy-2-methylanilino)propanamide
CID 30376996
N-(2-ethoxyphenyl)-2-[3-(hydroxymethyl)anilino]propanamide
CID 110880183
4-[[(2R)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]amino]-N-(4-methoxyphenyl)benzamide
CID 25355176
(2S)-2-(3-acetamidophenoxy)-N-(5-chloro-2-methoxyphenyl)propanamide
CID 7698294
N-(3-bromophenyl)-2-[3-(hydroxymethyl)anilino]propanamide
CID 110880174
N-(3-fluorophenyl)-2-[3-(hydroxymethyl)anilino]propanamide
CID 110880177
2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-N-(5-chloro-2-methoxyphenyl)propanamide
CID 17403822
(2S)-N-(5-chloro-2-methoxyphenyl)-2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]propanamide
CID 7590323
N-(2,5-dichlorophenyl)-2-[3-(difluoromethoxy)-4-methoxyanilino]propanamide
CID 42941663
(2S)-2-amino-N-(5-chloro-2-methoxyphenyl)propanamide;hydrochloride
CID 119262144

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[3-(hydroxymethyl)anilino]propanamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[3-(hydroxymethyl)anilino]propanamide (CID 42911755) is N-(5-chloro-2-methoxyphenyl)-2-[3-(hydroxymethyl)anilino]propanamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-[3-(hydroxymethyl)anilino]propanamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-[3-(hydroxymethyl)anilino]propanamide is COc1ccc(Cl)cc1NC(=O)C(C)Nc1cccc(CO)c1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-[3-(hydroxymethyl)anilino]propanamide?
The InChIKey is SXCZUYQNQDZXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3/c1-11(19-14-5-3-4-12(8-14)10-21)17(22)20-15-9-13(18)6-7-16(15)23-2/h3-9,11,19,21H,10H2,1-2H3,(H,20,22).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-[3-(hydroxymethyl)anilino]propanamide?
N-(5-chloro-2-methoxyphenyl)-2-[3-(hydroxymethyl)anilino]propanamide has a molecular weight of 334.80 g/mol, XLogP of 3.28, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-[3-(hydroxymethyl)anilino]propanamide is sourced from PubChem (CID 42911755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).