(3R)-N-[2-[(4-chlorobenzoyl)amino]ethyl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide

C17H20ClN3O3 — CID 36868577

IUPAC(3R)-N-[2-[(4-chlorobenzoyl)amino]ethyl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCCNC(=O)[C@@H]1CC(=O)N(C2CC2)C1)c1ccc(Cl)cc1
InChIInChI=1S/C17H20ClN3O3/c18-13-3-1-11(2-4-13)16(23)19-7-8-20-17(24)12-9-15(22)21(10-12)14-5-6-14/h1-4,12,14H,5-10H2,(H,19,23)(H,20,24)/t12-/m1/s1
InChIKeyQIPXOWWIKULXBZ-GFCCVEGCSA-N
MW349.82 g/mol
LogP1.20
Rot. Bonds6

About (3R)-N-[2-[(4-chlorobenzoyl)amino]ethyl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide

(3R)-N-[2-[(4-chlorobenzoyl)amino]ethyl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 36868577) has the molecular formula C17H20ClN3O3 and a molecular weight of 349.82 g/mol. Its IUPAC name is (3R)-N-[2-[(4-chlorobenzoyl)amino]ethyl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[2-[(4-chlorobenzoyl)amino]ethyl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide
PubChem CID36868577
Molecular FormulaC17H20ClN3O3
Molecular Weight349.82 g/mol
Exact Mass349.12
IUPAC Name(3R)-N-[2-[(4-chlorobenzoyl)amino]ethyl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCCNC(=O)[C@@H]1CC(=O)N(C2CC2)C1)c1ccc(Cl)cc1
InChIInChI=1S/C17H20ClN3O3/c18-13-3-1-11(2-4-13)16(23)19-7-8-20-17(24)12-9-15(22)21(10-12)14-5-6-14/h1-4,12,14H,5-10H2,(H,19,23)(H,20,24)/t12-/m1/s1
InChIKeyQIPXOWWIKULXBZ-GFCCVEGCSA-N
XLogP1.20
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.82
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-benzamidoethyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 46539812
(3R)-N-[3-(4-chlorophenyl)propyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 97113539
N-[2-(4-chlorophenyl)ethyl]-1-(1,1-dioxothiolan-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 113184770
(3R)-1-(4-chlorophenyl)-N-[2-(cyclopropanecarbonylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 94168240
1-cyclopropyl-N-[3-(2-fluorophenyl)propyl]-5-oxopyrrolidine-3-carboxamide
CID 70724457
(3S)-N-[2-(2-chloro-6-fluorophenyl)ethyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 97130733
(3S)-1-cyclopropyl-N-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide
CID 94869872
N-[2-[(4-chlorobenzoyl)amino]ethyl]piperidine-4-carboxamide;hydrochloride
CID 119278612
1-cyclopentyl-N-[2-(2-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 42916466
N-(3-chloropropyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 17081353
1-cyclopropyl-N-(cyclopropylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 47022144
(3R)-N-[2-(4-chloropyrazol-1-yl)ethyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 97136827

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[2-[(4-chlorobenzoyl)amino]ethyl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-[2-[(4-chlorobenzoyl)amino]ethyl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide (CID 36868577) is (3R)-N-[2-[(4-chlorobenzoyl)amino]ethyl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[2-[(4-chlorobenzoyl)amino]ethyl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-[2-[(4-chlorobenzoyl)amino]ethyl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide is O=C(NCCNC(=O)[C@@H]1CC(=O)N(C2CC2)C1)c1ccc(Cl)cc1.
What is the InChIKey of (3R)-N-[2-[(4-chlorobenzoyl)amino]ethyl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is QIPXOWWIKULXBZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H20ClN3O3/c18-13-3-1-11(2-4-13)16(23)19-7-8-20-17(24)12-9-15(22)21(10-12)14-5-6-14/h1-4,12,14H,5-10H2,(H,19,23)(H,20,24)/t12-/m1/s1.
What are the key properties of (3R)-N-[2-[(4-chlorobenzoyl)amino]ethyl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide?
(3R)-N-[2-[(4-chlorobenzoyl)amino]ethyl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 349.82 g/mol, XLogP of 1.20, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[2-[(4-chlorobenzoyl)amino]ethyl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 36868577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).