N-(3-chloro-4-methoxyphenyl)-2-(phenylcarbamoylamino)propanamide

C17H18ClN3O3 — CID 51143820

IUPACN-(3-chloro-4-methoxyphenyl)-2-(phenylcarbamoylamino)propanamide
SMILESCOc1ccc(NC(=O)C(C)NC(=O)Nc2ccccc2)cc1Cl
InChIInChI=1S/C17H18ClN3O3/c1-11(19-17(23)21-12-6-4-3-5-7-12)16(22)20-13-8-9-15(24-2)14(18)10-13/h3-11H,1-2H3,(H,20,22)(H2,19,21,23)
InChIKeyJYPFMYYJWGMFFF-UHFFFAOYSA-N
MW347.80 g/mol
LogP3.50
Rot. Bonds5

About N-(3-chloro-4-methoxyphenyl)-2-(phenylcarbamoylamino)propanamide

N-(3-chloro-4-methoxyphenyl)-2-(phenylcarbamoylamino)propanamide (PubChem CID 51143820) has the molecular formula C17H18ClN3O3 and a molecular weight of 347.80 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-2-(phenylcarbamoylamino)propanamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-2-(phenylcarbamoylamino)propanamide
PubChem CID51143820
Molecular FormulaC17H18ClN3O3
Molecular Weight347.80 g/mol
Exact Mass347.10
IUPAC NameN-(3-chloro-4-methoxyphenyl)-2-(phenylcarbamoylamino)propanamide
SMILESCOc1ccc(NC(=O)C(C)NC(=O)Nc2ccccc2)cc1Cl
InChIInChI=1S/C17H18ClN3O3/c1-11(19-17(23)21-12-6-4-3-5-7-12)16(22)20-13-8-9-15(24-2)14(18)10-13/h3-11H,1-2H3,(H,20,22)(H2,19,21,23)
InChIKeyJYPFMYYJWGMFFF-UHFFFAOYSA-N
XLogP3.50
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.80
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-1-(3-chloro-4-methoxyanilino)-1-oxopropan-2-yl]benzamide
CID 2712885
2-(4-acetamidoanilino)-N-(3-chloro-4-methoxyphenyl)propanamide
CID 51242163
(2R)-2-chloro-N-(3-chloro-4-methoxyphenyl)-2-phenylacetamide
CID 2392261
3-(3-chloro-4-methoxyanilino)-2-methyl-3-oxopropanoic acid
CID 83550580
2-anilino-N-(3-chloro-4-methoxyphenyl)-2-phenylacetamide
CID 4879709
1-(4-benzoylphenyl)-3-(3-chloro-4-methoxyphenyl)urea
CID 56695004
1-(3-chloro-4-methoxyphenyl)-3-(2-sulfanylphenyl)urea
CID 108886279
N-(4-fluorophenyl)-2-(phenylcarbamoylamino)propanamide
CID 51148415
1-(3-chloro-4-methoxyphenyl)-3-(4-propan-2-yloxyphenyl)urea
CID 108991931
N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-(phenylcarbamoylamino)propanamide
CID 55683457
N-(3-chloro-4-fluorophenyl)-2-(3-chloro-4-methoxyanilino)propanamide
CID 55430557
(2S)-2-[(3-acetylphenyl)carbamoylamino]-N-phenylpropanamide
CID 95325032

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-(phenylcarbamoylamino)propanamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-(phenylcarbamoylamino)propanamide (CID 51143820) is N-(3-chloro-4-methoxyphenyl)-2-(phenylcarbamoylamino)propanamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-2-(phenylcarbamoylamino)propanamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-2-(phenylcarbamoylamino)propanamide is COc1ccc(NC(=O)C(C)NC(=O)Nc2ccccc2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-2-(phenylcarbamoylamino)propanamide?
The InChIKey is JYPFMYYJWGMFFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O3/c1-11(19-17(23)21-12-6-4-3-5-7-12)16(22)20-13-8-9-15(24-2)14(18)10-13/h3-11H,1-2H3,(H,20,22)(H2,19,21,23).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-2-(phenylcarbamoylamino)propanamide?
N-(3-chloro-4-methoxyphenyl)-2-(phenylcarbamoylamino)propanamide has a molecular weight of 347.80 g/mol, XLogP of 3.50, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-2-(phenylcarbamoylamino)propanamide is sourced from PubChem (CID 51143820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).