4-[[[2-(3-chloro-2-fluorophenyl)-2-methylpropyl]carbamoylamino]methyl]benzamide

C19H21ClFN3O2 — CID 166218718

IUPAC4-[[[2-(3-chloro-2-fluorophenyl)-2-methylpropyl]carbamoylamino]methyl]benzamide
SMILESCC(C)(CNC(=O)NCc1ccc(C(N)=O)cc1)c1cccc(Cl)c1F
InChIInChI=1S/C19H21ClFN3O2/c1-19(2,14-4-3-5-15(20)16(14)21)11-24-18(26)23-10-12-6-8-13(9-7-12)17(22)25/h3-9H,10-11H2,1-2H3,(H2,22,25)(H2,23,24,26)
InChIKeyAJSIBKDWAIBNRZ-UHFFFAOYSA-N
MW377.85 g/mol
LogP3.36
Rot. Bonds6

About 4-[[[2-(3-chloro-2-fluorophenyl)-2-methylpropyl]carbamoylamino]methyl]benzamide

4-[[[2-(3-chloro-2-fluorophenyl)-2-methylpropyl]carbamoylamino]methyl]benzamide (PubChem CID 166218718) has the molecular formula C19H21ClFN3O2 and a molecular weight of 377.85 g/mol. Its IUPAC name is 4-[[[2-(3-chloro-2-fluorophenyl)-2-methylpropyl]carbamoylamino]methyl]benzamide.

Molecular Properties

Compound Name4-[[[2-(3-chloro-2-fluorophenyl)-2-methylpropyl]carbamoylamino]methyl]benzamide
PubChem CID166218718
Molecular FormulaC19H21ClFN3O2
Molecular Weight377.85 g/mol
Exact Mass377.13
IUPAC Name4-[[[2-(3-chloro-2-fluorophenyl)-2-methylpropyl]carbamoylamino]methyl]benzamide
SMILESCC(C)(CNC(=O)NCc1ccc(C(N)=O)cc1)c1cccc(Cl)c1F
InChIInChI=1S/C19H21ClFN3O2/c1-19(2,14-4-3-5-15(20)16(14)21)11-24-18(26)23-10-12-6-8-13(9-7-12)17(22)25/h3-9H,10-11H2,1-2H3,(H2,22,25)(H2,23,24,26)
InChIKeyAJSIBKDWAIBNRZ-UHFFFAOYSA-N
XLogP3.36
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.85
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[2-(3-chloro-2-fluorophenyl)-2-methylpropyl]carbamoylamino]butanoic acid
CID 122010326
2-(3-chloro-2-fluorophenyl)-N,2-dimethylpropan-1-amine
CID 82805898
N-tert-butyl-2-(3-chloro-2-fluorophenyl)-2-methylpropan-1-amine
CID 82806549
1-[(4-chlorophenyl)methyl]-3-[2-(4-chlorophenyl)-2-methylpropyl]urea
CID 113213436
3-[(4-chlorophenyl)methylcarbamoylamino]-2,2-dimethylpropanamide
CID 56813966
1-[2-(2-chlorophenyl)-2-hydroxypropyl]-3-[(4-cyanophenyl)methyl]urea
CID 86793254
4-[(phenylcarbamoylamino)methyl]benzamide
CID 47118035
1-benzyl-3-(2-methyl-2-phenylpropyl)urea
CID 38887064
3-[(3-chloro-2-fluorophenyl)methylamino]benzamide
CID 115743478
3-[(3-chloro-2-fluorophenyl)methylamino]-5-fluoro-4-methylbenzamide
CID 115744032
1-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-3-(2,2-dimethylpropyl)urea
CID 147285009
(4-carbamoylphenyl)methylcarbamic acid
CID 91190690

Frequently Asked Questions

What is the IUPAC name of 4-[[[2-(3-chloro-2-fluorophenyl)-2-methylpropyl]carbamoylamino]methyl]benzamide?
The IUPAC name of 4-[[[2-(3-chloro-2-fluorophenyl)-2-methylpropyl]carbamoylamino]methyl]benzamide (CID 166218718) is 4-[[[2-(3-chloro-2-fluorophenyl)-2-methylpropyl]carbamoylamino]methyl]benzamide.
What is the SMILES notation for 4-[[[2-(3-chloro-2-fluorophenyl)-2-methylpropyl]carbamoylamino]methyl]benzamide?
The canonical SMILES for 4-[[[2-(3-chloro-2-fluorophenyl)-2-methylpropyl]carbamoylamino]methyl]benzamide is CC(C)(CNC(=O)NCc1ccc(C(N)=O)cc1)c1cccc(Cl)c1F.
What is the InChIKey of 4-[[[2-(3-chloro-2-fluorophenyl)-2-methylpropyl]carbamoylamino]methyl]benzamide?
The InChIKey is AJSIBKDWAIBNRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClFN3O2/c1-19(2,14-4-3-5-15(20)16(14)21)11-24-18(26)23-10-12-6-8-13(9-7-12)17(22)25/h3-9H,10-11H2,1-2H3,(H2,22,25)(H2,23,24,26).
What are the key properties of 4-[[[2-(3-chloro-2-fluorophenyl)-2-methylpropyl]carbamoylamino]methyl]benzamide?
4-[[[2-(3-chloro-2-fluorophenyl)-2-methylpropyl]carbamoylamino]methyl]benzamide has a molecular weight of 377.85 g/mol, XLogP of 3.36, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-(3-chloro-2-fluorophenyl)-2-methylpropyl]carbamoylamino]methyl]benzamide is sourced from PubChem (CID 166218718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).