N-[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]cyclopentanecarboxamide

C16H21ClN2O3 — CID 38764224

IUPACN-[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]cyclopentanecarboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)CCNC(=O)C1CCCC1
InChIInChI=1S/C16H21ClN2O3/c1-22-14-7-6-12(17)10-13(14)19-15(20)8-9-18-16(21)11-4-2-3-5-11/h6-7,10-11H,2-5,8-9H2,1H3,(H,18,21)(H,19,20)
InChIKeyPNQOKNBWQZSRNU-UHFFFAOYSA-N
MW324.81 g/mol
LogP2.98
Rot. Bonds6

About N-[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]cyclopentanecarboxamide

N-[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]cyclopentanecarboxamide (PubChem CID 38764224) has the molecular formula C16H21ClN2O3 and a molecular weight of 324.81 g/mol. Its IUPAC name is N-[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]cyclopentanecarboxamide
PubChem CID38764224
Molecular FormulaC16H21ClN2O3
Molecular Weight324.81 g/mol
Exact Mass324.12
IUPAC NameN-[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]cyclopentanecarboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)CCNC(=O)C1CCCC1
InChIInChI=1S/C16H21ClN2O3/c1-22-14-7-6-12(17)10-13(14)19-15(20)8-9-18-16(21)11-4-2-3-5-11/h6-7,10-11H,2-5,8-9H2,1H3,(H,18,21)(H,19,20)
InChIKeyPNQOKNBWQZSRNU-UHFFFAOYSA-N
XLogP2.98
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120976520
4-N-(5-chloro-2-methoxyphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144380
N-(5-chloro-2-methoxyphenyl)-3-[[2-(cyclopropylmethylamino)acetyl]amino]propanamide
CID 119815029
(3S)-N-[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 39351536
N-[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]benzamide
CID 8763306
2-chloro-N-(5-chloro-2-methoxyphenyl)acetamide
CID 776663
N-(5-chloro-2-methoxyphenyl)-3-(5-chloro-2-methylanilino)propanamide
CID 109038439
3-(tert-butylamino)-N-(5-chloro-2-methoxyphenyl)propanamide
CID 54928228
2-amino-N-[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]-3-methoxypropanamide
CID 120991653
5-bromo-N-(5-chloro-2-methoxyphenyl)pentanamide
CID 103601683
N'-(5-chloro-2-methoxyphenyl)butanediamide
CID 94271903
N-[3-[3-(difluoromethoxy)-4-methoxyanilino]-3-oxopropyl]cyclopentanecarboxamide
CID 38824177

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]cyclopentanecarboxamide?
The IUPAC name of N-[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]cyclopentanecarboxamide (CID 38764224) is N-[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]cyclopentanecarboxamide?
The canonical SMILES for N-[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]cyclopentanecarboxamide is COc1ccc(Cl)cc1NC(=O)CCNC(=O)C1CCCC1.
What is the InChIKey of N-[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]cyclopentanecarboxamide?
The InChIKey is PNQOKNBWQZSRNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O3/c1-22-14-7-6-12(17)10-13(14)19-15(20)8-9-18-16(21)11-4-2-3-5-11/h6-7,10-11H,2-5,8-9H2,1H3,(H,18,21)(H,19,20).
What are the key properties of N-[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]cyclopentanecarboxamide?
N-[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]cyclopentanecarboxamide has a molecular weight of 324.81 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]cyclopentanecarboxamide is sourced from PubChem (CID 38764224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).