N-[3-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrrolidine-2-carboxamide

C19H19F3N4O2 — CID 119301878

IUPACN-[3-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrrolidine-2-carboxamide
SMILESO=C(Nc1cccc(NC(=O)C2CCCN2)c1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H19F3N4O2/c20-19(21,22)12-4-1-5-13(10-12)25-18(28)26-15-7-2-6-14(11-15)24-17(27)16-8-3-9-23-16/h1-2,4-7,10-11,16,23H,3,8-9H2,(H,24,27)(H2,25,26,28)
InChIKeySEUCJWOHWDTDSW-UHFFFAOYSA-N
MW392.38 g/mol
LogP4.04
Rot. Bonds4

About N-[3-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrrolidine-2-carboxamide

N-[3-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrrolidine-2-carboxamide (PubChem CID 119301878) has the molecular formula C19H19F3N4O2 and a molecular weight of 392.38 g/mol. Its IUPAC name is N-[3-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrrolidine-2-carboxamide
PubChem CID119301878
Molecular FormulaC19H19F3N4O2
Molecular Weight392.38 g/mol
Exact Mass392.15
IUPAC NameN-[3-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrrolidine-2-carboxamide
SMILESO=C(Nc1cccc(NC(=O)C2CCCN2)c1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H19F3N4O2/c20-19(21,22)12-4-1-5-13(10-12)25-18(28)26-15-7-2-6-14(11-15)24-17(27)16-8-3-9-23-16/h1-2,4-7,10-11,16,23H,3,8-9H2,(H,24,27)(H2,25,26,28)
InChIKeySEUCJWOHWDTDSW-UHFFFAOYSA-N
XLogP4.04
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.38
LogP ≤ 54.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[3-(trifluoromethyl)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119671263
N-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
CID 11701623
N-(3-aminophenyl)pyrrolidine-2-carboxamide
CID 110481304
(3S)-N-[3-(trifluoromethyl)phenyl]morpholine-3-carboxamide
CID 129372263
N-[3-bromo-5-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
CID 65490023
1-[(3R)-piperidin-3-yl]-3-[3-(trifluoromethyl)phenyl]urea
CID 104645603
(2S)-N-(3-bromophenyl)pyrrolidine-2-carboxamide
CID 22691460
N-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119262127
1-N,4-N-bis[3-(trifluoromethyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 17197875
N-[3-(trifluoromethyl)phenyl]cyclohexanecarboxamide
CID 874898
N-(3-carbamoylphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119270285
(2R)-N-(3-cyanophenyl)pyrrolidine-2-carboxamide
CID 104900460

Frequently Asked Questions

What is the IUPAC name of N-[3-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[3-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrrolidine-2-carboxamide (CID 119301878) is N-[3-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[3-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[3-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrrolidine-2-carboxamide is O=C(Nc1cccc(NC(=O)C2CCCN2)c1)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[3-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrrolidine-2-carboxamide?
The InChIKey is SEUCJWOHWDTDSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4O2/c20-19(21,22)12-4-1-5-13(10-12)25-18(28)26-15-7-2-6-14(11-15)24-17(27)16-8-3-9-23-16/h1-2,4-7,10-11,16,23H,3,8-9H2,(H,24,27)(H2,25,26,28).
What are the key properties of N-[3-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrrolidine-2-carboxamide?
N-[3-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrrolidine-2-carboxamide has a molecular weight of 392.38 g/mol, XLogP of 4.04, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 119301878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).