(2R)-N-[4-[(4-chlorobenzoyl)amino]phenyl]pyrrolidine-2-carboxamide

C18H18ClN3O2 — CID 95376963

IUPAC(2R)-N-[4-[(4-chlorobenzoyl)amino]phenyl]pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(NC(=O)[C@H]2CCCN2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C18H18ClN3O2/c19-13-5-3-12(4-6-13)17(23)21-14-7-9-15(10-8-14)22-18(24)16-2-1-11-20-16/h3-10,16,20H,1-2,11H2,(H,21,23)(H,22,24)/t16-/m1/s1
InChIKeyXDUBAYKSFCEBMS-MRXNPFEDSA-N
MW343.81 g/mol
LogP3.28
Rot. Bonds4

About (2R)-N-[4-[(4-chlorobenzoyl)amino]phenyl]pyrrolidine-2-carboxamide

(2R)-N-[4-[(4-chlorobenzoyl)amino]phenyl]pyrrolidine-2-carboxamide (PubChem CID 95376963) has the molecular formula C18H18ClN3O2 and a molecular weight of 343.81 g/mol. Its IUPAC name is (2R)-N-[4-[(4-chlorobenzoyl)amino]phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[4-[(4-chlorobenzoyl)amino]phenyl]pyrrolidine-2-carboxamide
PubChem CID95376963
Molecular FormulaC18H18ClN3O2
Molecular Weight343.81 g/mol
Exact Mass343.11
IUPAC Name(2R)-N-[4-[(4-chlorobenzoyl)amino]phenyl]pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(NC(=O)[C@H]2CCCN2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C18H18ClN3O2/c19-13-5-3-12(4-6-13)17(23)21-14-7-9-15(10-8-14)22-18(24)16-2-1-11-20-16/h3-10,16,20H,1-2,11H2,(H,21,23)(H,22,24)/t16-/m1/s1
InChIKeyXDUBAYKSFCEBMS-MRXNPFEDSA-N
XLogP3.28
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.81
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(4-chlorophenyl)pyrrolidine-2-carboxamide
CID 7183288
N-[4-(cyclopropylcarbamoyl)phenyl]pyrrolidine-2-carboxamide
CID 43233974
(2S)-N-[4-(ethylcarbamoyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119284338
(2S)-N-[4-(cyclopropylcarbamoyl)phenyl]piperidine-2-carboxamide
CID 103808292
N-(4-aminophenyl)pyrrolidine-2-carboxamide
CID 22034800
(2S)-N-(4-acetamidophenyl)pyrrolidine-2-carboxamide
CID 22691413
N-[4-(prop-2-enylcarbamoyl)phenyl]pyrrolidine-2-carboxamide
CID 60927170
(2R)-N-(4-iodophenyl)pyrrolidine-2-carboxamide
CID 28881297
(2R)-N-[4-(carbamoylamino)phenyl]pyrrolidine-2-carboxamide
CID 103794450
N-[4-[(4-chlorobenzoyl)amino]phenyl]piperidine-4-carboxamide;hydrochloride
CID 119302107
(2R)-N-[4-(propan-2-ylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119740054
N-(3,4-difluorophenyl)pyrrolidine-2-carboxamide
CID 18073046

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-[(4-chlorobenzoyl)amino]phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-[4-[(4-chlorobenzoyl)amino]phenyl]pyrrolidine-2-carboxamide (CID 95376963) is (2R)-N-[4-[(4-chlorobenzoyl)amino]phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[4-[(4-chlorobenzoyl)amino]phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-[4-[(4-chlorobenzoyl)amino]phenyl]pyrrolidine-2-carboxamide is O=C(Nc1ccc(NC(=O)[C@H]2CCCN2)cc1)c1ccc(Cl)cc1.
What is the InChIKey of (2R)-N-[4-[(4-chlorobenzoyl)amino]phenyl]pyrrolidine-2-carboxamide?
The InChIKey is XDUBAYKSFCEBMS-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H18ClN3O2/c19-13-5-3-12(4-6-13)17(23)21-14-7-9-15(10-8-14)22-18(24)16-2-1-11-20-16/h3-10,16,20H,1-2,11H2,(H,21,23)(H,22,24)/t16-/m1/s1.
What are the key properties of (2R)-N-[4-[(4-chlorobenzoyl)amino]phenyl]pyrrolidine-2-carboxamide?
(2R)-N-[4-[(4-chlorobenzoyl)amino]phenyl]pyrrolidine-2-carboxamide has a molecular weight of 343.81 g/mol, XLogP of 3.28, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[4-[(4-chlorobenzoyl)amino]phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 95376963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).