(2S)-2-[3-chloro-4-(2-oxopyrrolidin-1-yl)anilino]-N-(2-ethoxyphenyl)propanamide

C21H24ClN3O3 — CID 32508323

IUPAC(2S)-2-[3-chloro-4-(2-oxopyrrolidin-1-yl)anilino]-N-(2-ethoxyphenyl)propanamide
SMILESCCOc1ccccc1NC(=O)[C@H](C)Nc1ccc(N2CCCC2=O)c(Cl)c1
InChIInChI=1S/C21H24ClN3O3/c1-3-28-19-8-5-4-7-17(19)24-21(27)14(2)23-15-10-11-18(16(22)13-15)25-12-6-9-20(25)26/h4-5,7-8,10-11,13-14,23H,3,6,9,12H2,1-2H3,(H,24,27)/t14-/m0/s1
InChIKeyMDNZSQKHDXSOKP-AWEZNQCLSA-N
MW401.89 g/mol
LogP4.30
Rot. Bonds7

About (2S)-2-[3-chloro-4-(2-oxopyrrolidin-1-yl)anilino]-N-(2-ethoxyphenyl)propanamide

(2S)-2-[3-chloro-4-(2-oxopyrrolidin-1-yl)anilino]-N-(2-ethoxyphenyl)propanamide (PubChem CID 32508323) has the molecular formula C21H24ClN3O3 and a molecular weight of 401.89 g/mol. Its IUPAC name is (2S)-2-[3-chloro-4-(2-oxopyrrolidin-1-yl)anilino]-N-(2-ethoxyphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[3-chloro-4-(2-oxopyrrolidin-1-yl)anilino]-N-(2-ethoxyphenyl)propanamide
PubChem CID32508323
Molecular FormulaC21H24ClN3O3
Molecular Weight401.89 g/mol
Exact Mass401.15
IUPAC Name(2S)-2-[3-chloro-4-(2-oxopyrrolidin-1-yl)anilino]-N-(2-ethoxyphenyl)propanamide
SMILESCCOc1ccccc1NC(=O)[C@H](C)Nc1ccc(N2CCCC2=O)c(Cl)c1
InChIInChI=1S/C21H24ClN3O3/c1-3-28-19-8-5-4-7-17(19)24-21(27)14(2)23-15-10-11-18(16(22)13-15)25-12-6-9-20(25)26/h4-5,7-8,10-11,13-14,23H,3,6,9,12H2,1-2H3,(H,24,27)/t14-/m0/s1
InChIKeyMDNZSQKHDXSOKP-AWEZNQCLSA-N
XLogP4.30
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.89
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[3-chloro-4-(2-oxopyrrolidin-1-yl)anilino]-N-quinolin-5-ylpropanamide
CID 34281309
2-(4-acetamido-3-chloroanilino)-N-(2-ethoxyphenyl)propanamide
CID 47018355
N-(3-chloro-2-methylphenyl)-2-[3-methyl-4-(2-oxopyrrolidin-1-yl)anilino]propanamide
CID 42935089
(2S)-2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-N-phenylpropanamide
CID 41397114
2-(4-ethoxyanilino)-N-(2-ethoxyphenyl)propanamide
CID 51242376
N-(3-chlorophenyl)-2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]propanamide
CID 24614808
N-(2-ethoxyphenyl)-2-(3-methylanilino)propanamide
CID 51242335
2-(4-bromo-3-methylanilino)-N-(2-ethoxyphenyl)propanamide
CID 46667035
N-(2-ethoxyphenyl)-2-[3-(hydroxymethyl)anilino]propanamide
CID 110880183
1-[2-chloro-4-[[(2S)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]amino]phenyl]pyrrolidin-2-one
CID 32508446
N-(2-chlorophenyl)-2-[4-ethoxy-3-(hydroxymethyl)anilino]propanamide
CID 110900389
(2R)-N-(2-ethoxyphenyl)-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]propanamide
CID 95570799

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[3-chloro-4-(2-oxopyrrolidin-1-yl)anilino]-N-(2-ethoxyphenyl)propanamide?
The IUPAC name of (2S)-2-[3-chloro-4-(2-oxopyrrolidin-1-yl)anilino]-N-(2-ethoxyphenyl)propanamide (CID 32508323) is (2S)-2-[3-chloro-4-(2-oxopyrrolidin-1-yl)anilino]-N-(2-ethoxyphenyl)propanamide.
What is the SMILES notation for (2S)-2-[3-chloro-4-(2-oxopyrrolidin-1-yl)anilino]-N-(2-ethoxyphenyl)propanamide?
The canonical SMILES for (2S)-2-[3-chloro-4-(2-oxopyrrolidin-1-yl)anilino]-N-(2-ethoxyphenyl)propanamide is CCOc1ccccc1NC(=O)[C@H](C)Nc1ccc(N2CCCC2=O)c(Cl)c1.
What is the InChIKey of (2S)-2-[3-chloro-4-(2-oxopyrrolidin-1-yl)anilino]-N-(2-ethoxyphenyl)propanamide?
The InChIKey is MDNZSQKHDXSOKP-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H24ClN3O3/c1-3-28-19-8-5-4-7-17(19)24-21(27)14(2)23-15-10-11-18(16(22)13-15)25-12-6-9-20(25)26/h4-5,7-8,10-11,13-14,23H,3,6,9,12H2,1-2H3,(H,24,27)/t14-/m0/s1.
What are the key properties of (2S)-2-[3-chloro-4-(2-oxopyrrolidin-1-yl)anilino]-N-(2-ethoxyphenyl)propanamide?
(2S)-2-[3-chloro-4-(2-oxopyrrolidin-1-yl)anilino]-N-(2-ethoxyphenyl)propanamide has a molecular weight of 401.89 g/mol, XLogP of 4.30, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[3-chloro-4-(2-oxopyrrolidin-1-yl)anilino]-N-(2-ethoxyphenyl)propanamide is sourced from PubChem (CID 32508323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).