1-[(4-fluorophenyl)carbamoylamino]cycloheptane-1-carboxylic acid

C15H19FN2O3 — CID 43163270

IUPAC1-[(4-fluorophenyl)carbamoylamino]cycloheptane-1-carboxylic acid
SMILESO=C(Nc1ccc(F)cc1)NC1(C(=O)O)CCCCCC1
InChIInChI=1S/C15H19FN2O3/c16-11-5-7-12(8-6-11)17-14(21)18-15(13(19)20)9-3-1-2-4-10-15/h5-8H,1-4,9-10H2,(H,19,20)(H2,17,18,21)
InChIKeyQJHNLPRQNVOTBB-UHFFFAOYSA-N
MW294.33 g/mol
LogP3.12
Rot. Bonds3

About 1-[(4-fluorophenyl)carbamoylamino]cycloheptane-1-carboxylic acid

1-[(4-fluorophenyl)carbamoylamino]cycloheptane-1-carboxylic acid (PubChem CID 43163270) has the molecular formula C15H19FN2O3 and a molecular weight of 294.33 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)carbamoylamino]cycloheptane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(4-fluorophenyl)carbamoylamino]cycloheptane-1-carboxylic acid
PubChem CID43163270
Molecular FormulaC15H19FN2O3
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC Name1-[(4-fluorophenyl)carbamoylamino]cycloheptane-1-carboxylic acid
SMILESO=C(Nc1ccc(F)cc1)NC1(C(=O)O)CCCCCC1
InChIInChI=1S/C15H19FN2O3/c16-11-5-7-12(8-6-11)17-14(21)18-15(13(19)20)9-3-1-2-4-10-15/h5-8H,1-4,9-10H2,(H,19,20)(H2,17,18,21)
InChIKeyQJHNLPRQNVOTBB-UHFFFAOYSA-N
XLogP3.12
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-bromophenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 61190823
1-[(4-chloro-3-fluorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 61468561
1-[(4-carbamoylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 61186362
1-[(4-fluoro-3-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 62813931
1-[(4-nitrophenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 22503951
1-(4-fluorophenyl)-3-[1-(hydroxymethyl)cyclopentyl]urea
CID 62521940
1-[(2-bromo-5-fluorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 107629068
N-[(4-fluorophenyl)methyl]-1-[(4-methylphenyl)carbamoylamino]cyclohexane-1-carboxamide
CID 3222697
1-(1H-pyrazol-4-ylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 61209991
1-[(3-fluoro-5-methylphenyl)carbamoylamino]cyclobutane-1-carboxylic acid
CID 81162784
1-[(4-fluorophenyl)carbamoylamino]-2-methylcyclohexane-1-carboxylic acid
CID 61293031
1-[(3-bromo-4-fluorophenyl)carbamoylamino]cyclopropane-1-carboxylic acid
CID 113364175

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)carbamoylamino]cycloheptane-1-carboxylic acid?
The IUPAC name of 1-[(4-fluorophenyl)carbamoylamino]cycloheptane-1-carboxylic acid (CID 43163270) is 1-[(4-fluorophenyl)carbamoylamino]cycloheptane-1-carboxylic acid.
What is the SMILES notation for 1-[(4-fluorophenyl)carbamoylamino]cycloheptane-1-carboxylic acid?
The canonical SMILES for 1-[(4-fluorophenyl)carbamoylamino]cycloheptane-1-carboxylic acid is O=C(Nc1ccc(F)cc1)NC1(C(=O)O)CCCCCC1.
What is the InChIKey of 1-[(4-fluorophenyl)carbamoylamino]cycloheptane-1-carboxylic acid?
The InChIKey is QJHNLPRQNVOTBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O3/c16-11-5-7-12(8-6-11)17-14(21)18-15(13(19)20)9-3-1-2-4-10-15/h5-8H,1-4,9-10H2,(H,19,20)(H2,17,18,21).
What are the key properties of 1-[(4-fluorophenyl)carbamoylamino]cycloheptane-1-carboxylic acid?
1-[(4-fluorophenyl)carbamoylamino]cycloheptane-1-carboxylic acid has a molecular weight of 294.33 g/mol, XLogP of 3.12, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)carbamoylamino]cycloheptane-1-carboxylic acid is sourced from PubChem (CID 43163270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).