N-(3-carbamoyl-4-chlorophenyl)-3-propylpyrrolidine-3-carboxamide

C15H20ClN3O2 — CID 63139068

IUPACN-(3-carbamoyl-4-chlorophenyl)-3-propylpyrrolidine-3-carboxamide
SMILESCCCC1(C(=O)Nc2ccc(Cl)c(C(N)=O)c2)CCNC1
InChIInChI=1S/C15H20ClN3O2/c1-2-5-15(6-7-18-9-15)14(21)19-10-3-4-12(16)11(8-10)13(17)20/h3-4,8,18H,2,5-7,9H2,1H3,(H2,17,20)(H,19,21)
InChIKeyLEFYMQGLLHZORI-UHFFFAOYSA-N
MW309.80 g/mol
LogP2.16
Rot. Bonds5

About N-(3-carbamoyl-4-chlorophenyl)-3-propylpyrrolidine-3-carboxamide

N-(3-carbamoyl-4-chlorophenyl)-3-propylpyrrolidine-3-carboxamide (PubChem CID 63139068) has the molecular formula C15H20ClN3O2 and a molecular weight of 309.80 g/mol. Its IUPAC name is N-(3-carbamoyl-4-chlorophenyl)-3-propylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-carbamoyl-4-chlorophenyl)-3-propylpyrrolidine-3-carboxamide
PubChem CID63139068
Molecular FormulaC15H20ClN3O2
Molecular Weight309.80 g/mol
Exact Mass309.12
IUPAC NameN-(3-carbamoyl-4-chlorophenyl)-3-propylpyrrolidine-3-carboxamide
SMILESCCCC1(C(=O)Nc2ccc(Cl)c(C(N)=O)c2)CCNC1
InChIInChI=1S/C15H20ClN3O2/c1-2-5-15(6-7-18-9-15)14(21)19-10-3-4-12(16)11(8-10)13(17)20/h3-4,8,18H,2,5-7,9H2,1H3,(H2,17,20)(H,19,21)
InChIKeyLEFYMQGLLHZORI-UHFFFAOYSA-N
XLogP2.16
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-hydroxyphenyl)-3-propylpyrrolidine-3-carboxamide
CID 63139935
3-propyl-N-(2,4,5-trichlorophenyl)pyrrolidine-3-carboxamide
CID 63140733
N-(3-bromophenyl)-3-propylpyrrolidine-3-carboxamide
CID 55164937
N-(1H-indol-5-yl)-3-propylpyrrolidine-3-carboxamide
CID 63141613
N-(2,3-dihydro-1-benzofuran-5-yl)-3-propylpyrrolidine-3-carboxamide
CID 63140119
N-(4-chlorophenyl)-4-propylpiperidine-4-carboxamide
CID 63127290
N-(2-chloro-4-iodophenyl)-3-propylpyrrolidine-3-carboxamide
CID 63140297
N-[3-(methylcarbamoyl)phenyl]-3-propylpyrrolidine-3-carboxamide
CID 63141667
5-chloro-2-[(3-propylpyrrolidine-3-carbonyl)amino]benzoic acid
CID 63143879
N-(1-benzothiophen-5-yl)-3-propylpiperidine-3-carboxamide
CID 63130559
N-(2-bromo-5-chlorophenyl)-3-propylpyrrolidine-3-carboxamide
CID 81271547
4-(aminomethyl)-N-(3-carbamoyl-4-chlorophenyl)oxane-4-carboxamide;hydrochloride
CID 120922590

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamoyl-4-chlorophenyl)-3-propylpyrrolidine-3-carboxamide?
The IUPAC name of N-(3-carbamoyl-4-chlorophenyl)-3-propylpyrrolidine-3-carboxamide (CID 63139068) is N-(3-carbamoyl-4-chlorophenyl)-3-propylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(3-carbamoyl-4-chlorophenyl)-3-propylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(3-carbamoyl-4-chlorophenyl)-3-propylpyrrolidine-3-carboxamide is CCCC1(C(=O)Nc2ccc(Cl)c(C(N)=O)c2)CCNC1.
What is the InChIKey of N-(3-carbamoyl-4-chlorophenyl)-3-propylpyrrolidine-3-carboxamide?
The InChIKey is LEFYMQGLLHZORI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O2/c1-2-5-15(6-7-18-9-15)14(21)19-10-3-4-12(16)11(8-10)13(17)20/h3-4,8,18H,2,5-7,9H2,1H3,(H2,17,20)(H,19,21).
What are the key properties of N-(3-carbamoyl-4-chlorophenyl)-3-propylpyrrolidine-3-carboxamide?
N-(3-carbamoyl-4-chlorophenyl)-3-propylpyrrolidine-3-carboxamide has a molecular weight of 309.80 g/mol, XLogP of 2.16, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamoyl-4-chlorophenyl)-3-propylpyrrolidine-3-carboxamide is sourced from PubChem (CID 63139068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).