[1-(4-chlorophenyl)cyclopropyl]carbamoyl-(3-fluorophenyl)carbamic acid

C17H14ClFN2O3 — CID 129115468

IUPAC[1-(4-chlorophenyl)cyclopropyl]carbamoyl-(3-fluorophenyl)carbamic acid
SMILESO=C(O)N(C(=O)NC1(c2ccc(Cl)cc2)CC1)c1cccc(F)c1
InChIInChI=1S/C17H14ClFN2O3/c18-12-6-4-11(5-7-12)17(8-9-17)20-15(22)21(16(23)24)14-3-1-2-13(19)10-14/h1-7,10H,8-9H2,(H,20,22)(H,23,24)
InChIKeyYTQJSPIGMZOVRY-UHFFFAOYSA-N
MW348.76 g/mol
LogP4.36
Rot. Bonds3

About [1-(4-chlorophenyl)cyclopropyl]carbamoyl-(3-fluorophenyl)carbamic acid

[1-(4-chlorophenyl)cyclopropyl]carbamoyl-(3-fluorophenyl)carbamic acid (PubChem CID 129115468) has the molecular formula C17H14ClFN2O3 and a molecular weight of 348.76 g/mol. Its IUPAC name is [1-(4-chlorophenyl)cyclopropyl]carbamoyl-(3-fluorophenyl)carbamic acid.

Molecular Properties

Compound Name[1-(4-chlorophenyl)cyclopropyl]carbamoyl-(3-fluorophenyl)carbamic acid
PubChem CID129115468
Molecular FormulaC17H14ClFN2O3
Molecular Weight348.76 g/mol
Exact Mass348.07
IUPAC Name[1-(4-chlorophenyl)cyclopropyl]carbamoyl-(3-fluorophenyl)carbamic acid
SMILESO=C(O)N(C(=O)NC1(c2ccc(Cl)cc2)CC1)c1cccc(F)c1
InChIInChI=1S/C17H14ClFN2O3/c18-12-6-4-11(5-7-12)17(8-9-17)20-15(22)21(16(23)24)14-3-1-2-13(19)10-14/h1-7,10H,8-9H2,(H,20,22)(H,23,24)
InChIKeyYTQJSPIGMZOVRY-UHFFFAOYSA-N
XLogP4.36
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.76
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-chlorophenyl)cyclopropyl]-3-(dimethylamino)benzamide
CID 110444402
N-[1-(4-chlorophenyl)cyclopropyl]-3-methylbenzamide
CID 110441479
2,4-dichloro-N-[1-(4-fluorophenyl)cyclobutyl]benzamide
CID 110443081
1,1-dimethyl-3-(1-phenylcyclopropyl)urea
CID 11217964
2-chloro-N-[1-(3-fluorophenyl)cyclopropyl]acetamide
CID 166403981
1-(3-chloro-4-fluorophenyl)-3-(1-phenylcyclobutyl)urea
CID 113216996
1-butyl-3-[1-(4-chlorophenyl)cyclopropyl]-1-methylurea
CID 113215456
[1-(3-chlorophenyl)cyclopropyl]carbamic acid
CID 122529573
2-chloro-N-[1-(3-chlorophenyl)cyclopropyl]-6-fluorobenzamide
CID 110445814
N-[1-(3-chlorophenyl)cyclopropyl]-4-fluorobenzamide
CID 110441685
N-[1-(3-fluorophenyl)cyclopropyl]-2,2-dimethylpropanamide
CID 110479683
1-(3-fluorophenyl)-3-[1-(4-methoxyphenyl)cyclopropyl]urea
CID 113215715

Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)cyclopropyl]carbamoyl-(3-fluorophenyl)carbamic acid?
The IUPAC name of [1-(4-chlorophenyl)cyclopropyl]carbamoyl-(3-fluorophenyl)carbamic acid (CID 129115468) is [1-(4-chlorophenyl)cyclopropyl]carbamoyl-(3-fluorophenyl)carbamic acid.
What is the SMILES notation for [1-(4-chlorophenyl)cyclopropyl]carbamoyl-(3-fluorophenyl)carbamic acid?
The canonical SMILES for [1-(4-chlorophenyl)cyclopropyl]carbamoyl-(3-fluorophenyl)carbamic acid is O=C(O)N(C(=O)NC1(c2ccc(Cl)cc2)CC1)c1cccc(F)c1.
What is the InChIKey of [1-(4-chlorophenyl)cyclopropyl]carbamoyl-(3-fluorophenyl)carbamic acid?
The InChIKey is YTQJSPIGMZOVRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFN2O3/c18-12-6-4-11(5-7-12)17(8-9-17)20-15(22)21(16(23)24)14-3-1-2-13(19)10-14/h1-7,10H,8-9H2,(H,20,22)(H,23,24).
What are the key properties of [1-(4-chlorophenyl)cyclopropyl]carbamoyl-(3-fluorophenyl)carbamic acid?
[1-(4-chlorophenyl)cyclopropyl]carbamoyl-(3-fluorophenyl)carbamic acid has a molecular weight of 348.76 g/mol, XLogP of 4.36, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorophenyl)cyclopropyl]carbamoyl-(3-fluorophenyl)carbamic acid is sourced from PubChem (CID 129115468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).