(2S,5S)-N-(4-acetamido-2-chlorophenyl)-2,5-dimethylpyrrolidine-1-carboxamide

C15H20ClN3O2 — CID 129382087

IUPAC(2S,5S)-N-(4-acetamido-2-chlorophenyl)-2,5-dimethylpyrrolidine-1-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)N2[C@@H](C)CC[C@@H]2C)c(Cl)c1
InChIInChI=1S/C15H20ClN3O2/c1-9-4-5-10(2)19(9)15(21)18-14-7-6-12(8-13(14)16)17-11(3)20/h6-10H,4-5H2,1-3H3,(H,17,20)(H,18,21)/t9-,10-/m0/s1
InChIKeyXEFFOMVDHRYEKG-UWVGGRQHSA-N
MW309.80 g/mol
LogP3.70
Rot. Bonds2

About (2S,5S)-N-(4-acetamido-2-chlorophenyl)-2,5-dimethylpyrrolidine-1-carboxamide

(2S,5S)-N-(4-acetamido-2-chlorophenyl)-2,5-dimethylpyrrolidine-1-carboxamide (PubChem CID 129382087) has the molecular formula C15H20ClN3O2 and a molecular weight of 309.80 g/mol. Its IUPAC name is (2S,5S)-N-(4-acetamido-2-chlorophenyl)-2,5-dimethylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S,5S)-N-(4-acetamido-2-chlorophenyl)-2,5-dimethylpyrrolidine-1-carboxamide
PubChem CID129382087
Molecular FormulaC15H20ClN3O2
Molecular Weight309.80 g/mol
Exact Mass309.12
IUPAC Name(2S,5S)-N-(4-acetamido-2-chlorophenyl)-2,5-dimethylpyrrolidine-1-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)N2[C@@H](C)CC[C@@H]2C)c(Cl)c1
InChIInChI=1S/C15H20ClN3O2/c1-9-4-5-10(2)19(9)15(21)18-14-7-6-12(8-13(14)16)17-11(3)20/h6-10H,4-5H2,1-3H3,(H,17,20)(H,18,21)/t9-,10-/m0/s1
InChIKeyXEFFOMVDHRYEKG-UWVGGRQHSA-N
XLogP3.70
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-acetamido-2-chlorophenyl)-1,3,3a,4,7,7a-hexahydroisoindole-2-carboxamide
CID 71992327
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N-(4-acetamido-2-chlorophenyl)-4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carboxamide
CID 56583415
(2S,6S)-N-(4-chloro-2-fluorophenyl)-2,6-dimethylpiperidine-1-carboxamide
CID 29056416
N-[2-chloro-4-(1-cyclopropylethylamino)phenyl]acetamide
CID 43690232
5-chloro-2-[(2,6-dimethylpiperidine-1-carbonyl)amino]benzoic acid
CID 61189699
N-(4-acetamido-3-chlorophenyl)-2-(cyclopentylamino)acetamide
CID 60720174
N-[4-[(4-aminocyclohexyl)amino]-2-chlorophenyl]acetamide
CID 79723981
(2S,5R)-N-(4-acetamido-2-chlorophenyl)-5-(aminomethyl)oxolane-2-carboxamide
CID 120790754
(2S,6R)-N-(4-aminophenyl)-2,6-dimethylpiperidine-1-carboxamide
CID 93056889
N-(4-acetamido-3-chlorophenyl)-3-aminocyclopentane-1-carboxamide;hydrochloride
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(2R,6R)-N-(3,4-dichlorophenyl)-2,6-dimethylpiperidine-1-carbothioamide
CID 40642543

Frequently Asked Questions

What is the IUPAC name of (2S,5S)-N-(4-acetamido-2-chlorophenyl)-2,5-dimethylpyrrolidine-1-carboxamide?
The IUPAC name of (2S,5S)-N-(4-acetamido-2-chlorophenyl)-2,5-dimethylpyrrolidine-1-carboxamide (CID 129382087) is (2S,5S)-N-(4-acetamido-2-chlorophenyl)-2,5-dimethylpyrrolidine-1-carboxamide.
What is the SMILES notation for (2S,5S)-N-(4-acetamido-2-chlorophenyl)-2,5-dimethylpyrrolidine-1-carboxamide?
The canonical SMILES for (2S,5S)-N-(4-acetamido-2-chlorophenyl)-2,5-dimethylpyrrolidine-1-carboxamide is CC(=O)Nc1ccc(NC(=O)N2[C@@H](C)CC[C@@H]2C)c(Cl)c1.
What is the InChIKey of (2S,5S)-N-(4-acetamido-2-chlorophenyl)-2,5-dimethylpyrrolidine-1-carboxamide?
The InChIKey is XEFFOMVDHRYEKG-UWVGGRQHSA-N. The full InChI is InChI=1S/C15H20ClN3O2/c1-9-4-5-10(2)19(9)15(21)18-14-7-6-12(8-13(14)16)17-11(3)20/h6-10H,4-5H2,1-3H3,(H,17,20)(H,18,21)/t9-,10-/m0/s1.
What are the key properties of (2S,5S)-N-(4-acetamido-2-chlorophenyl)-2,5-dimethylpyrrolidine-1-carboxamide?
(2S,5S)-N-(4-acetamido-2-chlorophenyl)-2,5-dimethylpyrrolidine-1-carboxamide has a molecular weight of 309.80 g/mol, XLogP of 3.70, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-N-(4-acetamido-2-chlorophenyl)-2,5-dimethylpyrrolidine-1-carboxamide is sourced from PubChem (CID 129382087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).