1-[[(2,5-dichlorobenzoyl)amino]methyl]cyclopentane-1-carboxylic acid

C14H15Cl2NO3 — CID 81369097

IUPAC1-[[(2,5-dichlorobenzoyl)amino]methyl]cyclopentane-1-carboxylic acid
SMILESO=C(NCC1(C(=O)O)CCCC1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H15Cl2NO3/c15-9-3-4-11(16)10(7-9)12(18)17-8-14(13(19)20)5-1-2-6-14/h3-4,7H,1-2,5-6,8H2,(H,17,18)(H,19,20)
InChIKeyIXTXWAORVQRVEO-UHFFFAOYSA-N
MW316.18 g/mol
LogP3.37
Rot. Bonds4

About 1-[[(2,5-dichlorobenzoyl)amino]methyl]cyclopentane-1-carboxylic acid

1-[[(2,5-dichlorobenzoyl)amino]methyl]cyclopentane-1-carboxylic acid (PubChem CID 81369097) has the molecular formula C14H15Cl2NO3 and a molecular weight of 316.18 g/mol. Its IUPAC name is 1-[[(2,5-dichlorobenzoyl)amino]methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(2,5-dichlorobenzoyl)amino]methyl]cyclopentane-1-carboxylic acid
PubChem CID81369097
Molecular FormulaC14H15Cl2NO3
Molecular Weight316.18 g/mol
Exact Mass315.04
IUPAC Name1-[[(2,5-dichlorobenzoyl)amino]methyl]cyclopentane-1-carboxylic acid
SMILESO=C(NCC1(C(=O)O)CCCC1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H15Cl2NO3/c15-9-3-4-11(16)10(7-9)12(18)17-8-14(13(19)20)5-1-2-6-14/h3-4,7H,1-2,5-6,8H2,(H,17,18)(H,19,20)
InChIKeyIXTXWAORVQRVEO-UHFFFAOYSA-N
XLogP3.37
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.18
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[(2-bromo-5-chlorobenzoyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 103925713
1-[[(3-chloropyridine-4-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 113309086
1-[[(2,5-dichlorothiophene-3-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 113263350
1-[[(3-chlorobenzoyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 81362528
1-[[(2-chloro-3-fluorobenzoyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 115435717
1-[[(5-bromo-2-fluorobenzoyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 115435679
1-[[(4-chloro-2-methoxybenzoyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115449594
1-[[(3-amino-4-chlorobenzoyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 115445882
1-[[(4-chloro-3-fluorophenyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 115434138
2,5-dichloro-N-[(4-hydroxyoxan-4-yl)methyl]benzamide
CID 71989539
1-[[(4-chloro-3-fluorobenzoyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 107998056
1-[[(3-chloro-4-hydroxybenzoyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 115445158

Frequently Asked Questions

What is the IUPAC name of 1-[[(2,5-dichlorobenzoyl)amino]methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[[(2,5-dichlorobenzoyl)amino]methyl]cyclopentane-1-carboxylic acid (CID 81369097) is 1-[[(2,5-dichlorobenzoyl)amino]methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[[(2,5-dichlorobenzoyl)amino]methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[[(2,5-dichlorobenzoyl)amino]methyl]cyclopentane-1-carboxylic acid is O=C(NCC1(C(=O)O)CCCC1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 1-[[(2,5-dichlorobenzoyl)amino]methyl]cyclopentane-1-carboxylic acid?
The InChIKey is IXTXWAORVQRVEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2NO3/c15-9-3-4-11(16)10(7-9)12(18)17-8-14(13(19)20)5-1-2-6-14/h3-4,7H,1-2,5-6,8H2,(H,17,18)(H,19,20).
What are the key properties of 1-[[(2,5-dichlorobenzoyl)amino]methyl]cyclopentane-1-carboxylic acid?
1-[[(2,5-dichlorobenzoyl)amino]methyl]cyclopentane-1-carboxylic acid has a molecular weight of 316.18 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2,5-dichlorobenzoyl)amino]methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 81369097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).