2-[1-[(4-chloro-1-methylpyrrole-2-carbonyl)amino]cyclohexyl]acetic acid

C14H19ClN2O3 — CID 64671752

IUPAC2-[1-[(4-chloro-1-methylpyrrole-2-carbonyl)amino]cyclohexyl]acetic acid
SMILESCn1cc(Cl)cc1C(=O)NC1(CC(=O)O)CCCCC1
InChIInChI=1S/C14H19ClN2O3/c1-17-9-10(15)7-11(17)13(20)16-14(8-12(18)19)5-3-2-4-6-14/h7,9H,2-6,8H2,1H3,(H,16,20)(H,18,19)
InChIKeyWTIALQPFQBPTLE-UHFFFAOYSA-N
MW298.77 g/mol
LogP2.59
Rot. Bonds4

About 2-[1-[(4-chloro-1-methylpyrrole-2-carbonyl)amino]cyclohexyl]acetic acid

2-[1-[(4-chloro-1-methylpyrrole-2-carbonyl)amino]cyclohexyl]acetic acid (PubChem CID 64671752) has the molecular formula C14H19ClN2O3 and a molecular weight of 298.77 g/mol. Its IUPAC name is 2-[1-[(4-chloro-1-methylpyrrole-2-carbonyl)amino]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(4-chloro-1-methylpyrrole-2-carbonyl)amino]cyclohexyl]acetic acid
PubChem CID64671752
Molecular FormulaC14H19ClN2O3
Molecular Weight298.77 g/mol
Exact Mass298.11
IUPAC Name2-[1-[(4-chloro-1-methylpyrrole-2-carbonyl)amino]cyclohexyl]acetic acid
SMILESCn1cc(Cl)cc1C(=O)NC1(CC(=O)O)CCCCC1
InChIInChI=1S/C14H19ClN2O3/c1-17-9-10(15)7-11(17)13(20)16-14(8-12(18)19)5-3-2-4-6-14/h7,9H,2-6,8H2,1H3,(H,16,20)(H,18,19)
InChIKeyWTIALQPFQBPTLE-UHFFFAOYSA-N
XLogP2.59
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[1-[(4-chloro-1-methylpyrrole-2-carbonyl)amino]cyclohexyl]acetic acid with MolForge

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Related Compounds

4-chloro-N-[1-(hydroxymethyl)cyclobutyl]-1-methylpyrrole-2-carboxamide
CID 115878497
2-[1-[[(4-chloro-1-methylpyrrole-2-carbonyl)amino]methyl]cyclobutyl]acetic acid
CID 81163722
1-[[(4-chloro-1-methylpyrrole-2-carbonyl)amino]methyl]cycloheptane-1-carboxylic acid
CID 115443348
4-chloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-methylpyrrole-2-carboxamide
CID 113294464
2-[1-[(2,5-dimethylpyrazole-3-carbonyl)amino]cyclopentyl]acetic acid
CID 66127117
2-[1-[(4-methylbenzoyl)amino]cyclohexyl]acetic acid
CID 64671347
2-[1-[(4-chloro-2-hydroxybenzoyl)amino]cyclohexyl]acetic acid
CID 64671169
N-[1-(hydroxymethyl)cyclohexyl]-1-methyl-4-sulfamoylpyrrole-2-carboxamide
CID 62519693
2-[1-[(5-chloro-2-iodobenzoyl)amino]cyclohexyl]acetic acid
CID 103790760
2-[1-[(4-chlorobenzoyl)amino]cyclobutyl]acetic acid
CID 79845388
2-[1-[(4-chloro-2-hydroxybenzoyl)amino]cyclopentyl]acetic acid
CID 64672384
2-[1-[(4-bromo-1-methylpyrazole-3-carbonyl)amino]cyclohexyl]acetic acid
CID 138005704

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-chloro-1-methylpyrrole-2-carbonyl)amino]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[(4-chloro-1-methylpyrrole-2-carbonyl)amino]cyclohexyl]acetic acid (CID 64671752) is 2-[1-[(4-chloro-1-methylpyrrole-2-carbonyl)amino]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[(4-chloro-1-methylpyrrole-2-carbonyl)amino]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[(4-chloro-1-methylpyrrole-2-carbonyl)amino]cyclohexyl]acetic acid is Cn1cc(Cl)cc1C(=O)NC1(CC(=O)O)CCCCC1.
What is the InChIKey of 2-[1-[(4-chloro-1-methylpyrrole-2-carbonyl)amino]cyclohexyl]acetic acid?
The InChIKey is WTIALQPFQBPTLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O3/c1-17-9-10(15)7-11(17)13(20)16-14(8-12(18)19)5-3-2-4-6-14/h7,9H,2-6,8H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 2-[1-[(4-chloro-1-methylpyrrole-2-carbonyl)amino]cyclohexyl]acetic acid?
2-[1-[(4-chloro-1-methylpyrrole-2-carbonyl)amino]cyclohexyl]acetic acid has a molecular weight of 298.77 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-chloro-1-methylpyrrole-2-carbonyl)amino]cyclohexyl]acetic acid is sourced from PubChem (CID 64671752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).