4-[[2-(3-chlorophenoxy)acetyl]amino]cyclohexane-1-carboxylic acid

C15H18ClNO4 — CID 60810176

IUPAC4-[[2-(3-chlorophenoxy)acetyl]amino]cyclohexane-1-carboxylic acid
SMILESO=C(COc1cccc(Cl)c1)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C15H18ClNO4/c16-11-2-1-3-13(8-11)21-9-14(18)17-12-6-4-10(5-7-12)15(19)20/h1-3,8,10,12H,4-7,9H2,(H,17,18)(H,19,20)
InChIKeyAMYZMHPNDNEKNF-UHFFFAOYSA-N
MW311.76 g/mol
LogP2.48
Rot. Bonds5

About 4-[[2-(3-chlorophenoxy)acetyl]amino]cyclohexane-1-carboxylic acid

4-[[2-(3-chlorophenoxy)acetyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 60810176) has the molecular formula C15H18ClNO4 and a molecular weight of 311.76 g/mol. Its IUPAC name is 4-[[2-(3-chlorophenoxy)acetyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[2-(3-chlorophenoxy)acetyl]amino]cyclohexane-1-carboxylic acid
PubChem CID60810176
Molecular FormulaC15H18ClNO4
Molecular Weight311.76 g/mol
Exact Mass311.09
IUPAC Name4-[[2-(3-chlorophenoxy)acetyl]amino]cyclohexane-1-carboxylic acid
SMILESO=C(COc1cccc(Cl)c1)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C15H18ClNO4/c16-11-2-1-3-13(8-11)21-9-14(18)17-12-6-4-10(5-7-12)15(19)20/h1-3,8,10,12H,4-7,9H2,(H,17,18)(H,19,20)
InChIKeyAMYZMHPNDNEKNF-UHFFFAOYSA-N
XLogP2.48
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.76
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenoxy)-N-(4-hydroxycyclohexyl)acetamide
CID 43388716
cis-(1R,3S)-3-[[2-(3-methoxyphenoxy)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120678646
cis-(1R,3S)-3-[[2-(3-bromophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid
CID 106321314
2-(3-chlorophenoxy)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 4805342
2-(3-chlorophenoxy)-N-[4-(dimethylamino)-4-phenylcyclohexyl]acetamide
CID 11560885
2-(3-chlorophenoxy)-N-[4-(dimethylamino)-4-(2-phenylethyl)cyclohexyl]acetamide
CID 11546132
3-[[2-(2,4-dichlorophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid
CID 66030116
cis-(1S,3R)-3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120677149
2-(3-chlorophenoxy)-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 2632990
N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-(3-chlorophenoxy)acetamide
CID 98737694
2-(3-chlorophenoxy)-N-[4-(dimethylamino)-4-[(3-methylphenyl)methyl]cyclohexyl]acetamide
CID 11676011
N-(4-hydroxycyclohexyl)-2-(3-methylphenoxy)acetamide
CID 17453727

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(3-chlorophenoxy)acetyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[2-(3-chlorophenoxy)acetyl]amino]cyclohexane-1-carboxylic acid (CID 60810176) is 4-[[2-(3-chlorophenoxy)acetyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[2-(3-chlorophenoxy)acetyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[2-(3-chlorophenoxy)acetyl]amino]cyclohexane-1-carboxylic acid is O=C(COc1cccc(Cl)c1)NC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[[2-(3-chlorophenoxy)acetyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is AMYZMHPNDNEKNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO4/c16-11-2-1-3-13(8-11)21-9-14(18)17-12-6-4-10(5-7-12)15(19)20/h1-3,8,10,12H,4-7,9H2,(H,17,18)(H,19,20).
What are the key properties of 4-[[2-(3-chlorophenoxy)acetyl]amino]cyclohexane-1-carboxylic acid?
4-[[2-(3-chlorophenoxy)acetyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 311.76 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(3-chlorophenoxy)acetyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 60810176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).