4-acetyl-N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-1H-pyrrole-2-carboxamide

C17H20ClN3O2 — CID 32687581

IUPAC4-acetyl-N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c[nH]c(C(=O)NC[C@H](c2ccccc2Cl)N(C)C)c1
InChIInChI=1S/C17H20ClN3O2/c1-11(22)12-8-15(19-9-12)17(23)20-10-16(21(2)3)13-6-4-5-7-14(13)18/h4-9,16,19H,10H2,1-3H3,(H,20,23)/t16-/m1/s1
InChIKeyOJUJSTSLNNYZMN-MRXNPFEDSA-N
MW333.82 g/mol
LogP2.90
Rot. Bonds6

About 4-acetyl-N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-1H-pyrrole-2-carboxamide

4-acetyl-N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-1H-pyrrole-2-carboxamide (PubChem CID 32687581) has the molecular formula C17H20ClN3O2 and a molecular weight of 333.82 g/mol. Its IUPAC name is 4-acetyl-N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-1H-pyrrole-2-carboxamide
PubChem CID32687581
Molecular FormulaC17H20ClN3O2
Molecular Weight333.82 g/mol
Exact Mass333.12
IUPAC Name4-acetyl-N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c[nH]c(C(=O)NC[C@H](c2ccccc2Cl)N(C)C)c1
InChIInChI=1S/C17H20ClN3O2/c1-11(22)12-8-15(19-9-12)17(23)20-10-16(21(2)3)13-6-4-5-7-14(13)18/h4-9,16,19H,10H2,1-3H3,(H,20,23)/t16-/m1/s1
InChIKeyOJUJSTSLNNYZMN-MRXNPFEDSA-N
XLogP2.90
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 110622059
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 167869393
4-chloro-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1H-pyrrole-2-carboxamide
CID 86918117
3-N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]benzene-1,3-dicarboxamide
CID 30827387
N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-hydroxybenzamide
CID 51866833
4-acetyl-N-[(2R)-2-hydroxypropyl]-1H-pyrrole-2-carboxamide
CID 83039375
2-bromo-N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]benzamide
CID 8916135
N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-5-methylpyrazine-2-carboxamide
CID 30478238
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 55740396
5-chloro-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]thiophene-2-carboxamide
CID 42910726
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-6-methylpyridine-3-carboxamide
CID 43044703
N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 42033058

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-1H-pyrrole-2-carboxamide (CID 32687581) is 4-acetyl-N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-1H-pyrrole-2-carboxamide is CC(=O)c1c[nH]c(C(=O)NC[C@H](c2ccccc2Cl)N(C)C)c1.
What is the InChIKey of 4-acetyl-N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-1H-pyrrole-2-carboxamide?
The InChIKey is OJUJSTSLNNYZMN-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H20ClN3O2/c1-11(22)12-8-15(19-9-12)17(23)20-10-16(21(2)3)13-6-4-5-7-14(13)18/h4-9,16,19H,10H2,1-3H3,(H,20,23)/t16-/m1/s1.
What are the key properties of 4-acetyl-N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-1H-pyrrole-2-carboxamide?
4-acetyl-N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-1H-pyrrole-2-carboxamide has a molecular weight of 333.82 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 32687581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).