2-(3-chlorophenyl)-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide

C18H19ClN2O3 — CID 71862052

IUPAC2-(3-chlorophenyl)-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide
SMILESCOc1ccc(CC(=O)NC(C)(C(N)=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C18H19ClN2O3/c1-18(17(20)23,13-4-3-5-14(19)11-13)21-16(22)10-12-6-8-15(24-2)9-7-12/h3-9,11H,10H2,1-2H3,(H2,20,23)(H,21,22)
InChIKeyMIBKNEVAOLVJMO-UHFFFAOYSA-N
MW346.81 g/mol
LogP2.41
Rot. Bonds6

About 2-(3-chlorophenyl)-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide

2-(3-chlorophenyl)-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide (PubChem CID 71862052) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide
PubChem CID71862052
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC Name2-(3-chlorophenyl)-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide
SMILESCOc1ccc(CC(=O)NC(C)(C(N)=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C18H19ClN2O3/c1-18(17(20)23,13-4-3-5-14(19)11-13)21-16(22)10-12-6-8-15(24-2)9-7-12/h3-9,11H,10H2,1-2H3,(H2,20,23)(H,21,22)
InChIKeyMIBKNEVAOLVJMO-UHFFFAOYSA-N
XLogP2.41
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(3-chlorophenyl)-2-[(3-methoxyphenyl)methylamino]propanamide
CID 97238718
N-[1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]-4-(methylamino)butanamide
CID 119810304
2-(4-chlorophenyl)-N-[2-(4-methoxyphenyl)propan-2-yl]acetamide
CID 113091682
4-amino-N-[1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]pentanamide
CID 120563651
2-(3-chlorophenyl)-2-[[2-(cyclopropylmethylamino)acetyl]amino]propanamide;hydrochloride
CID 119810317
2-(3-chlorophenyl)-2-[(4-methoxy-2-pyridinyl)methylamino]propanamide
CID 75520512
2-(benzylamino)-2-(3-chlorophenyl)propanamide
CID 60996285
N-[2-(3-chlorophenyl)propan-2-yl]-2-(4-methoxyphenyl)-2-methylpropanamide
CID 110446431
2-amino-N-[1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]pentanamide
CID 119338812
2-(3-chlorophenyl)-2-[[2-(oxolan-2-yl)acetyl]amino]propanamide
CID 71977415
(2S)-2-(but-3-enylamino)-2-(3-chlorophenyl)propanamide
CID 97020992
N-[4-(3-chloroanilino)phenyl]-2-(4-methoxyphenyl)acetamide
CID 112986980

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide?
The IUPAC name of 2-(3-chlorophenyl)-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide (CID 71862052) is 2-(3-chlorophenyl)-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide.
What is the SMILES notation for 2-(3-chlorophenyl)-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide?
The canonical SMILES for 2-(3-chlorophenyl)-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide is COc1ccc(CC(=O)NC(C)(C(N)=O)c2cccc(Cl)c2)cc1.
What is the InChIKey of 2-(3-chlorophenyl)-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide?
The InChIKey is MIBKNEVAOLVJMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3/c1-18(17(20)23,13-4-3-5-14(19)11-13)21-16(22)10-12-6-8-15(24-2)9-7-12/h3-9,11H,10H2,1-2H3,(H2,20,23)(H,21,22).
What are the key properties of 2-(3-chlorophenyl)-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide?
2-(3-chlorophenyl)-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide has a molecular weight of 346.81 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide is sourced from PubChem (CID 71862052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).