N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(cyclopropylcarbamoylamino)benzamide

C18H15ClF3N3O2 — CID 39899500

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-4-(cyclopropylcarbamoylamino)benzamide
SMILESO=C(Nc1ccc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1)NC1CC1
InChIInChI=1S/C18H15ClF3N3O2/c19-15-8-7-13(9-14(15)18(20,21)22)23-16(26)10-1-3-11(4-2-10)24-17(27)25-12-5-6-12/h1-4,7-9,12H,5-6H2,(H,23,26)(H2,24,25,27)
InChIKeyAUHXNCOSTOAOFC-UHFFFAOYSA-N
MW397.78 g/mol
LogP4.89
Rot. Bonds4

About N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(cyclopropylcarbamoylamino)benzamide

N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(cyclopropylcarbamoylamino)benzamide (PubChem CID 39899500) has the molecular formula C18H15ClF3N3O2 and a molecular weight of 397.78 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(cyclopropylcarbamoylamino)benzamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-4-(cyclopropylcarbamoylamino)benzamide
PubChem CID39899500
Molecular FormulaC18H15ClF3N3O2
Molecular Weight397.78 g/mol
Exact Mass397.08
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-4-(cyclopropylcarbamoylamino)benzamide
SMILESO=C(Nc1ccc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1)NC1CC1
InChIInChI=1S/C18H15ClF3N3O2/c19-15-8-7-13(9-14(15)18(20,21)22)23-16(26)10-1-3-11(4-2-10)24-17(27)25-12-5-6-12/h1-4,7-9,12H,5-6H2,(H,23,26)(H2,24,25,27)
InChIKeyAUHXNCOSTOAOFC-UHFFFAOYSA-N
XLogP4.89
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.78
LogP ≤ 54.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-chloro-3-(trifluoromethyl)phenyl]-4-iodobenzamide
CID 1221652
2-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-N-cyclopropylacetamide
CID 84515951
4-(cyclopropylcarbamoylamino)-N-phenylbenzamide
CID 39885806
2-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-N-cyclopropylpyridine-2,4-dicarboxamide
CID 109078576
N-cyclopropyl-4-(cyclopropylcarbamoylamino)benzamide
CID 17180568
1-[4-bromo-3-(trifluoromethyl)phenyl]-3-cyclopropylurea
CID 115575186
N-[4-chloro-3-(trifluoromethyl)phenyl]-3,5-difluorobenzamide
CID 2084506
[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]cyclohexyl] 4-nitrobenzoate
CID 90084993
N-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetamide
CID 78811709
N-[4-chloro-3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 100703046
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(tetrazolidin-5-yl)benzamide
CID 73390436
[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl]phenyl] acetate
CID 1254888

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(cyclopropylcarbamoylamino)benzamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(cyclopropylcarbamoylamino)benzamide (CID 39899500) is N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(cyclopropylcarbamoylamino)benzamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(cyclopropylcarbamoylamino)benzamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(cyclopropylcarbamoylamino)benzamide is O=C(Nc1ccc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1)NC1CC1.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(cyclopropylcarbamoylamino)benzamide?
The InChIKey is AUHXNCOSTOAOFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClF3N3O2/c19-15-8-7-13(9-14(15)18(20,21)22)23-16(26)10-1-3-11(4-2-10)24-17(27)25-12-5-6-12/h1-4,7-9,12H,5-6H2,(H,23,26)(H2,24,25,27).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(cyclopropylcarbamoylamino)benzamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(cyclopropylcarbamoylamino)benzamide has a molecular weight of 397.78 g/mol, XLogP of 4.89, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(cyclopropylcarbamoylamino)benzamide is sourced from PubChem (CID 39899500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).