N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-3-(cyclopropylcarbamoylamino)benzamide

C19H19F3N4O2 — CID 120604765

IUPACN-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-3-(cyclopropylcarbamoylamino)benzamide
SMILESNCc1cc(NC(=O)c2cccc(NC(=O)NC3CC3)c2)cc(C(F)(F)F)c1
InChIInChI=1S/C19H19F3N4O2/c20-19(21,22)13-6-11(10-23)7-16(9-13)24-17(27)12-2-1-3-15(8-12)26-18(28)25-14-4-5-14/h1-3,6-9,14H,4-5,10,23H2,(H,24,27)(H2,25,26,28)
InChIKeyBWUIWLDVLMLNDQ-UHFFFAOYSA-N
MW392.38 g/mol
LogP3.70
Rot. Bonds5

About N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-3-(cyclopropylcarbamoylamino)benzamide

N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-3-(cyclopropylcarbamoylamino)benzamide (PubChem CID 120604765) has the molecular formula C19H19F3N4O2 and a molecular weight of 392.38 g/mol. Its IUPAC name is N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-3-(cyclopropylcarbamoylamino)benzamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-3-(cyclopropylcarbamoylamino)benzamide
PubChem CID120604765
Molecular FormulaC19H19F3N4O2
Molecular Weight392.38 g/mol
Exact Mass392.15
IUPAC NameN-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-3-(cyclopropylcarbamoylamino)benzamide
SMILESNCc1cc(NC(=O)c2cccc(NC(=O)NC3CC3)c2)cc(C(F)(F)F)c1
InChIInChI=1S/C19H19F3N4O2/c20-19(21,22)13-6-11(10-23)7-16(9-13)24-17(27)12-2-1-3-15(8-12)26-18(28)25-14-4-5-14/h1-3,6-9,14H,4-5,10,23H2,(H,24,27)(H2,25,26,28)
InChIKeyBWUIWLDVLMLNDQ-UHFFFAOYSA-N
XLogP3.70
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.38
LogP ≤ 53.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-3-(cyclopropanecarbonylamino)benzamide
CID 120605659
3-(cyclopropylcarbamoylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 60527760
N-[3-(trifluoromethyl)phenyl]-3-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 2359720
1-N-cyclopropyl-4-N-[3-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide
CID 109043396
N-cyclopropyl-3-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]benzamide
CID 24535194
4-(aminomethyl)-N-[3-(trifluoromethyl)phenyl]benzamide;dihydrochloride
CID 165436567
N-(2-amino-1-cyclopropylethyl)-3-(cyclopropylcarbamoylamino)benzamide;hydrochloride
CID 119617687
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]cyclopropanecarboxamide
CID 120605553
3-(cyclopropylcarbamoylamino)-N-(2-methylpropyl)benzamide
CID 47298640
1-(3-acetylphenyl)-3-cyclopropylurea
CID 47032116
3-(cyclopropylcarbamoylamino)-N-[4-[(2-methoxyacetyl)amino]phenyl]benzamide
CID 55914786
3-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzene-1,3-dicarboxamide
CID 46577065

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-3-(cyclopropylcarbamoylamino)benzamide?
The IUPAC name of N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-3-(cyclopropylcarbamoylamino)benzamide (CID 120604765) is N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-3-(cyclopropylcarbamoylamino)benzamide.
What is the SMILES notation for N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-3-(cyclopropylcarbamoylamino)benzamide?
The canonical SMILES for N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-3-(cyclopropylcarbamoylamino)benzamide is NCc1cc(NC(=O)c2cccc(NC(=O)NC3CC3)c2)cc(C(F)(F)F)c1.
What is the InChIKey of N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-3-(cyclopropylcarbamoylamino)benzamide?
The InChIKey is BWUIWLDVLMLNDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4O2/c20-19(21,22)13-6-11(10-23)7-16(9-13)24-17(27)12-2-1-3-15(8-12)26-18(28)25-14-4-5-14/h1-3,6-9,14H,4-5,10,23H2,(H,24,27)(H2,25,26,28).
What are the key properties of N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-3-(cyclopropylcarbamoylamino)benzamide?
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-3-(cyclopropylcarbamoylamino)benzamide has a molecular weight of 392.38 g/mol, XLogP of 3.70, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-3-(cyclopropylcarbamoylamino)benzamide is sourced from PubChem (CID 120604765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).