N-[1-(2-chlorophenyl)propan-2-yl]pyrrolidine-1-carboxamide

C14H19ClN2O — CID 110675397

IUPACN-[1-(2-chlorophenyl)propan-2-yl]pyrrolidine-1-carboxamide
SMILESCC(Cc1ccccc1Cl)NC(=O)N1CCCC1
InChIInChI=1S/C14H19ClN2O/c1-11(10-12-6-2-3-7-13(12)15)16-14(18)17-8-4-5-9-17/h2-3,6-7,11H,4-5,8-10H2,1H3,(H,16,18)
InChIKeyXSBCZHCXRZJOCR-UHFFFAOYSA-N
MW266.77 g/mol
LogP3.08
Rot. Bonds3

About N-[1-(2-chlorophenyl)propan-2-yl]pyrrolidine-1-carboxamide

N-[1-(2-chlorophenyl)propan-2-yl]pyrrolidine-1-carboxamide (PubChem CID 110675397) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)propan-2-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)propan-2-yl]pyrrolidine-1-carboxamide
PubChem CID110675397
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC NameN-[1-(2-chlorophenyl)propan-2-yl]pyrrolidine-1-carboxamide
SMILESCC(Cc1ccccc1Cl)NC(=O)N1CCCC1
InChIInChI=1S/C14H19ClN2O/c1-11(10-12-6-2-3-7-13(12)15)16-14(18)17-8-4-5-9-17/h2-3,6-7,11H,4-5,8-10H2,1H3,(H,16,18)
InChIKeyXSBCZHCXRZJOCR-UHFFFAOYSA-N
XLogP3.08
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-acetyl-N-[1-(2-chlorophenyl)propan-2-yl]piperazine-1-carboxamide
CID 110675407
N-[1-(2-chlorophenyl)propan-2-yl]-4-methylpiperidine-1-carboxamide
CID 110675399
ethyl 4-[1-(2-chlorophenyl)propan-2-ylcarbamoyl]piperazine-1-carboxylate
CID 110675422
N-[1-(2-chlorophenyl)propan-2-yl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 110675424
N-[1-(2-chlorophenyl)propan-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 110675417
4-[2-(2-chlorophenyl)acetyl]-N-propan-2-ylpiperazine-1-carboxamide
CID 47079935
2-(butan-2-ylamino)-N-[1-(2-chlorophenyl)propan-2-yl]acetamide
CID 60853929
N-[1-(2,6-difluorophenyl)propan-2-yl]pyrrolidine-1-carboxamide
CID 60541693
1-(aminomethyl)-N-[1-(2-chlorophenyl)propan-2-yl]cyclobutane-1-carboxamide
CID 115447507
(2S)-2-amino-N-[1-(2-chlorophenyl)propan-2-yl]butanamide
CID 79025472
(2S)-2-amino-N-[1-(2-chlorophenyl)propan-2-yl]-4-methylpentanamide
CID 61156026
tert-butyl N-[1-(2-chlorophenyl)propan-2-yl]carbamate
CID 63789387

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)propan-2-yl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[1-(2-chlorophenyl)propan-2-yl]pyrrolidine-1-carboxamide (CID 110675397) is N-[1-(2-chlorophenyl)propan-2-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[1-(2-chlorophenyl)propan-2-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[1-(2-chlorophenyl)propan-2-yl]pyrrolidine-1-carboxamide is CC(Cc1ccccc1Cl)NC(=O)N1CCCC1.
What is the InChIKey of N-[1-(2-chlorophenyl)propan-2-yl]pyrrolidine-1-carboxamide?
The InChIKey is XSBCZHCXRZJOCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-11(10-12-6-2-3-7-13(12)15)16-14(18)17-8-4-5-9-17/h2-3,6-7,11H,4-5,8-10H2,1H3,(H,16,18).
What are the key properties of N-[1-(2-chlorophenyl)propan-2-yl]pyrrolidine-1-carboxamide?
N-[1-(2-chlorophenyl)propan-2-yl]pyrrolidine-1-carboxamide has a molecular weight of 266.77 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)propan-2-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 110675397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).