6-[(3-chlorophenyl)carbamoylamino]hexanoic acid

C13H17ClN2O3 — CID 13414912

IUPAC6-[(3-chlorophenyl)carbamoylamino]hexanoic acid
SMILESO=C(O)CCCCCNC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C13H17ClN2O3/c14-10-5-4-6-11(9-10)16-13(19)15-8-3-1-2-7-12(17)18/h4-6,9H,1-3,7-8H2,(H,17,18)(H2,15,16,19)
InChIKeyQXQSEGHOIMJWCN-UHFFFAOYSA-N
MW284.74 g/mol
LogP3.11
Rot. Bonds7

About 6-[(3-chlorophenyl)carbamoylamino]hexanoic acid

6-[(3-chlorophenyl)carbamoylamino]hexanoic acid (PubChem CID 13414912) has the molecular formula C13H17ClN2O3 and a molecular weight of 284.74 g/mol. Its IUPAC name is 6-[(3-chlorophenyl)carbamoylamino]hexanoic acid.

Molecular Properties

Compound Name6-[(3-chlorophenyl)carbamoylamino]hexanoic acid
PubChem CID13414912
Molecular FormulaC13H17ClN2O3
Molecular Weight284.74 g/mol
Exact Mass284.09
IUPAC Name6-[(3-chlorophenyl)carbamoylamino]hexanoic acid
SMILESO=C(O)CCCCCNC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C13H17ClN2O3/c14-10-5-4-6-11(9-10)16-13(19)15-8-3-1-2-7-12(17)18/h4-6,9H,1-3,7-8H2,(H,17,18)(H2,15,16,19)
InChIKeyQXQSEGHOIMJWCN-UHFFFAOYSA-N
XLogP3.11
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.74
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-chlorophenyl)-3-undecylurea
CID 4294975
6-[(3-chlorophenyl)carbamoylamino]-6-oxohexanoic acid
CID 43447317
5-[(3,4-dichlorophenyl)carbamoylamino]pentanoic acid
CID 4083960
7-[(3-chloro-4-methylphenyl)carbamoylamino]heptanoic acid
CID 43515072
5-[(3-formylphenyl)carbamoylamino]pentanoic acid
CID 59745112
1-(4-amino-4-sulfanylidenebutyl)-3-(3-chlorophenyl)urea
CID 62668290
15-[(3,4-difluorophenyl)carbamoylamino]pentadecanoic acid
CID 148926172
7-[(4-chloro-3-fluorophenyl)carbamoylamino]heptanoic acid
CID 61468600
6-[(4-chloro-3-fluorophenyl)carbamoylamino]hexanoic acid
CID 61468358
5-[(3-methoxycarbonylphenyl)carbamoylamino]pentanoic acid
CID 58757430
6-[(3,4-dimethylphenyl)carbamoylamino]hexanoic acid
CID 61190966
6-[(3,5-dichloro-4-fluorophenyl)carbamoylamino]hexanoic acid
CID 107576493

Frequently Asked Questions

What is the IUPAC name of 6-[(3-chlorophenyl)carbamoylamino]hexanoic acid?
The IUPAC name of 6-[(3-chlorophenyl)carbamoylamino]hexanoic acid (CID 13414912) is 6-[(3-chlorophenyl)carbamoylamino]hexanoic acid.
What is the SMILES notation for 6-[(3-chlorophenyl)carbamoylamino]hexanoic acid?
The canonical SMILES for 6-[(3-chlorophenyl)carbamoylamino]hexanoic acid is O=C(O)CCCCCNC(=O)Nc1cccc(Cl)c1.
What is the InChIKey of 6-[(3-chlorophenyl)carbamoylamino]hexanoic acid?
The InChIKey is QXQSEGHOIMJWCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O3/c14-10-5-4-6-11(9-10)16-13(19)15-8-3-1-2-7-12(17)18/h4-6,9H,1-3,7-8H2,(H,17,18)(H2,15,16,19).
What are the key properties of 6-[(3-chlorophenyl)carbamoylamino]hexanoic acid?
6-[(3-chlorophenyl)carbamoylamino]hexanoic acid has a molecular weight of 284.74 g/mol, XLogP of 3.11, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-chlorophenyl)carbamoylamino]hexanoic acid is sourced from PubChem (CID 13414912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).