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

C19H18F3N3O2 — CID 60527760

IUPAC3-(cyclopropylcarbamoylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
SMILESO=C(Nc1cccc(C(=O)NCc2ccc(C(F)(F)F)cc2)c1)NC1CC1
InChIInChI=1S/C19H18F3N3O2/c20-19(21,22)14-6-4-12(5-7-14)11-23-17(26)13-2-1-3-16(10-13)25-18(27)24-15-8-9-15/h1-7,10,15H,8-9,11H2,(H,23,26)(H2,24,25,27)
InChIKeyNVGWLTQHKWJVSB-UHFFFAOYSA-N
MW377.37 g/mol
LogP3.92
Rot. Bonds5

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

3-(cyclopropylcarbamoylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide (PubChem CID 60527760) has the molecular formula C19H18F3N3O2 and a molecular weight of 377.37 g/mol. Its IUPAC name is 3-(cyclopropylcarbamoylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name3-(cyclopropylcarbamoylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
PubChem CID60527760
Molecular FormulaC19H18F3N3O2
Molecular Weight377.37 g/mol
Exact Mass377.14
IUPAC Name3-(cyclopropylcarbamoylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
SMILESO=C(Nc1cccc(C(=O)NCc2ccc(C(F)(F)F)cc2)c1)NC1CC1
InChIInChI=1S/C19H18F3N3O2/c20-19(21,22)14-6-4-12(5-7-14)11-23-17(26)13-2-1-3-16(10-13)25-18(27)24-15-8-9-15/h1-7,10,15H,8-9,11H2,(H,23,26)(H2,24,25,27)
InChIKeyNVGWLTQHKWJVSB-UHFFFAOYSA-N
XLogP3.92
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.37
LogP ≤ 53.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-3-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]benzamide
CID 24535194
N-ethyl-3-[[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]carbamoylamino]benzamide
CID 86952550
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-3-(cyclopropylcarbamoylamino)benzamide
CID 120604765
N-cyclopropyl-3-[(4-methylphenyl)methylcarbamoylamino]benzamide
CID 47033154
2-[3-[[[3-(cyclopropylcarbamoylamino)benzoyl]amino]methyl]phenoxy]acetic acid
CID 119246952
3-(cyclopropylcarbamoylamino)-N-(pyridin-2-ylmethyl)benzamide
CID 47041310
3-(cyclopropylcarbamoylamino)-N-(2-methylpropyl)benzamide
CID 47298640
N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 22225397
N-[2-(4-aminophenyl)ethyl]-3-(cyclopropylcarbamoylamino)benzamide;hydrochloride
CID 119549671
3-(cyclopropylcarbamoylamino)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]benzamide
CID 55883350
N,N-dimethyl-3-[[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]carbamoylamino]benzamide
CID 86952237
1-N-(pyridin-4-ylmethyl)-3-N-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
CID 109055233

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylcarbamoylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
The IUPAC name of 3-(cyclopropylcarbamoylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide (CID 60527760) is 3-(cyclopropylcarbamoylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 3-(cyclopropylcarbamoylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
The canonical SMILES for 3-(cyclopropylcarbamoylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide is O=C(Nc1cccc(C(=O)NCc2ccc(C(F)(F)F)cc2)c1)NC1CC1.
What is the InChIKey of 3-(cyclopropylcarbamoylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
The InChIKey is NVGWLTQHKWJVSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O2/c20-19(21,22)14-6-4-12(5-7-14)11-23-17(26)13-2-1-3-16(10-13)25-18(27)24-15-8-9-15/h1-7,10,15H,8-9,11H2,(H,23,26)(H2,24,25,27).
What are the key properties of 3-(cyclopropylcarbamoylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
3-(cyclopropylcarbamoylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide has a molecular weight of 377.37 g/mol, XLogP of 3.92, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylcarbamoylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 60527760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).