(3S)-N-(2-chlorophenyl)-3-(methylamino)pyrrolidine-1-carboxamide

C12H16ClN3O — CID 172646373

IUPAC(3S)-N-(2-chlorophenyl)-3-(methylamino)pyrrolidine-1-carboxamide
SMILESCN[C@H]1CCN(C(=O)Nc2ccccc2Cl)C1
InChIInChI=1S/C12H16ClN3O/c1-14-9-6-7-16(8-9)12(17)15-11-5-3-2-4-10(11)13/h2-5,9,14H,6-8H2,1H3,(H,15,17)/t9-/m0/s1
InChIKeySIUSBNMZCTWFKK-VIFPVBQESA-N
MW253.73 g/mol
LogP2.17
Rot. Bonds2

About (3S)-N-(2-chlorophenyl)-3-(methylamino)pyrrolidine-1-carboxamide

(3S)-N-(2-chlorophenyl)-3-(methylamino)pyrrolidine-1-carboxamide (PubChem CID 172646373) has the molecular formula C12H16ClN3O and a molecular weight of 253.73 g/mol. Its IUPAC name is (3S)-N-(2-chlorophenyl)-3-(methylamino)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-(2-chlorophenyl)-3-(methylamino)pyrrolidine-1-carboxamide
PubChem CID172646373
Molecular FormulaC12H16ClN3O
Molecular Weight253.73 g/mol
Exact Mass253.10
IUPAC Name(3S)-N-(2-chlorophenyl)-3-(methylamino)pyrrolidine-1-carboxamide
SMILESCN[C@H]1CCN(C(=O)Nc2ccccc2Cl)C1
InChIInChI=1S/C12H16ClN3O/c1-14-9-6-7-16(8-9)12(17)15-11-5-3-2-4-10(11)13/h2-5,9,14H,6-8H2,1H3,(H,15,17)/t9-/m0/s1
InChIKeySIUSBNMZCTWFKK-VIFPVBQESA-N
XLogP2.17
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-N-(2-chlorophenyl)-3-methylsulfonylpyrrolidine-1-carboxamide
CID 97414951
(3R,5R)-N-(2-chlorophenyl)-3,5-dimethylpiperidine-1-carboxamide
CID 40638803
N-(2-chlorophenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 62546007
N-(2-chlorophenyl)-4-(ethylaminomethyl)piperidine-1-carboxamide
CID 80552313
(3S)-1-N-(2-chlorophenyl)piperidine-1,3-dicarboxamide
CID 7366630
(3R)-3-(methylamino)-N-(2-methylphenyl)piperidine-1-carboxamide;hydrochloride
CID 172646427
N-(2-chlorophenyl)-3-(4-methylpiperazin-1-yl)azetidine-1-carboxamide
CID 23140017
N-(2-chlorophenyl)-3-(cyclopropylmethoxy)pyrrolidine-1-carboxamide
CID 121197665
(3R)-N-(2-chlorophenyl)-3-(3,5-dimethoxyanilino)piperidine-1-carboxamide
CID 96542823
N-(2-chlorophenyl)-4-[hydroxy(phenyl)methyl]piperidine-1-carboxamide
CID 110890318
3-(methylamino)-N-naphthalen-1-ylpiperidine-1-carboxamide
CID 62536380
4-[(2-chlorobenzoyl)amino]-N-(2-fluorophenyl)piperidine-1-carboxamide
CID 3218437

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(2-chlorophenyl)-3-(methylamino)pyrrolidine-1-carboxamide?
The IUPAC name of (3S)-N-(2-chlorophenyl)-3-(methylamino)pyrrolidine-1-carboxamide (CID 172646373) is (3S)-N-(2-chlorophenyl)-3-(methylamino)pyrrolidine-1-carboxamide.
What is the SMILES notation for (3S)-N-(2-chlorophenyl)-3-(methylamino)pyrrolidine-1-carboxamide?
The canonical SMILES for (3S)-N-(2-chlorophenyl)-3-(methylamino)pyrrolidine-1-carboxamide is CN[C@H]1CCN(C(=O)Nc2ccccc2Cl)C1.
What is the InChIKey of (3S)-N-(2-chlorophenyl)-3-(methylamino)pyrrolidine-1-carboxamide?
The InChIKey is SIUSBNMZCTWFKK-VIFPVBQESA-N. The full InChI is InChI=1S/C12H16ClN3O/c1-14-9-6-7-16(8-9)12(17)15-11-5-3-2-4-10(11)13/h2-5,9,14H,6-8H2,1H3,(H,15,17)/t9-/m0/s1.
What are the key properties of (3S)-N-(2-chlorophenyl)-3-(methylamino)pyrrolidine-1-carboxamide?
(3S)-N-(2-chlorophenyl)-3-(methylamino)pyrrolidine-1-carboxamide has a molecular weight of 253.73 g/mol, XLogP of 2.17, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(2-chlorophenyl)-3-(methylamino)pyrrolidine-1-carboxamide is sourced from PubChem (CID 172646373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).