2-chloro-N-[[2-(cyclopropylmethylcarbamoyl)phenyl]carbamoyl]-6-fluorobenzamide

C19H17ClFN3O3 — CID 2799401

IUPAC2-chloro-N-[[2-(cyclopropylmethylcarbamoyl)phenyl]carbamoyl]-6-fluorobenzamide
SMILESO=C(NC(=O)c1c(F)cccc1Cl)Nc1ccccc1C(=O)NCC1CC1
InChIInChI=1S/C19H17ClFN3O3/c20-13-5-3-6-14(21)16(13)18(26)24-19(27)23-15-7-2-1-4-12(15)17(25)22-10-11-8-9-11/h1-7,11H,8-10H2,(H,22,25)(H2,23,24,26,27)
InChIKeyUWJFVERXCVXTBJ-UHFFFAOYSA-N
MW389.81 g/mol
LogP3.58
Rot. Bonds5

About 2-chloro-N-[[2-(cyclopropylmethylcarbamoyl)phenyl]carbamoyl]-6-fluorobenzamide

2-chloro-N-[[2-(cyclopropylmethylcarbamoyl)phenyl]carbamoyl]-6-fluorobenzamide (PubChem CID 2799401) has the molecular formula C19H17ClFN3O3 and a molecular weight of 389.81 g/mol. Its IUPAC name is 2-chloro-N-[[2-(cyclopropylmethylcarbamoyl)phenyl]carbamoyl]-6-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-[[2-(cyclopropylmethylcarbamoyl)phenyl]carbamoyl]-6-fluorobenzamide
PubChem CID2799401
Molecular FormulaC19H17ClFN3O3
Molecular Weight389.81 g/mol
Exact Mass389.09
IUPAC Name2-chloro-N-[[2-(cyclopropylmethylcarbamoyl)phenyl]carbamoyl]-6-fluorobenzamide
SMILESO=C(NC(=O)c1c(F)cccc1Cl)Nc1ccccc1C(=O)NCC1CC1
InChIInChI=1S/C19H17ClFN3O3/c20-13-5-3-6-14(21)16(13)18(26)24-19(27)23-15-7-2-1-4-12(15)17(25)22-10-11-8-9-11/h1-7,11H,8-10H2,(H,22,25)(H2,23,24,26,27)
InChIKeyUWJFVERXCVXTBJ-UHFFFAOYSA-N
XLogP3.58
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.81
LogP ≤ 53.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[(4-chlorocyclohexyl)methyl]-6-fluorobenzamide
CID 114147976
2-chloro-6-fluoro-N-[(2-iodophenyl)carbamoyl]benzamide
CID 4052856
2-chloro-N-[(3-chlorocyclopentyl)methyl]-6-fluorobenzamide
CID 114147100
N-[(4-chlorocyclohexyl)methyl]-2,3-difluorobenzamide
CID 114147871
1-(2-fluorophenyl)-3-[(4-hydroxycyclohexyl)methyl]urea
CID 106125111
ethyl 2-[(2-chloro-6-fluorobenzoyl)amino]benzoate
CID 2394461
2-chloro-N-(cyclooctylmethyl)-3-fluorobenzamide
CID 173284973
N-[(4-aminocyclohexyl)methyl]-2,6-difluorobenzamide
CID 106124024
N-(cyclopentylmethyl)-2,3-difluorobenzamide
CID 62649354
3-chloro-2-fluoro-N-(pyrrolidin-3-ylmethyl)benzamide
CID 81267075
N-(cyclopropylmethyl)-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide
CID 34822016
2-chloro-6-fluoro-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide
CID 86263563

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[2-(cyclopropylmethylcarbamoyl)phenyl]carbamoyl]-6-fluorobenzamide?
The IUPAC name of 2-chloro-N-[[2-(cyclopropylmethylcarbamoyl)phenyl]carbamoyl]-6-fluorobenzamide (CID 2799401) is 2-chloro-N-[[2-(cyclopropylmethylcarbamoyl)phenyl]carbamoyl]-6-fluorobenzamide.
What is the SMILES notation for 2-chloro-N-[[2-(cyclopropylmethylcarbamoyl)phenyl]carbamoyl]-6-fluorobenzamide?
The canonical SMILES for 2-chloro-N-[[2-(cyclopropylmethylcarbamoyl)phenyl]carbamoyl]-6-fluorobenzamide is O=C(NC(=O)c1c(F)cccc1Cl)Nc1ccccc1C(=O)NCC1CC1.
What is the InChIKey of 2-chloro-N-[[2-(cyclopropylmethylcarbamoyl)phenyl]carbamoyl]-6-fluorobenzamide?
The InChIKey is UWJFVERXCVXTBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClFN3O3/c20-13-5-3-6-14(21)16(13)18(26)24-19(27)23-15-7-2-1-4-12(15)17(25)22-10-11-8-9-11/h1-7,11H,8-10H2,(H,22,25)(H2,23,24,26,27).
What are the key properties of 2-chloro-N-[[2-(cyclopropylmethylcarbamoyl)phenyl]carbamoyl]-6-fluorobenzamide?
2-chloro-N-[[2-(cyclopropylmethylcarbamoyl)phenyl]carbamoyl]-6-fluorobenzamide has a molecular weight of 389.81 g/mol, XLogP of 3.58, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[2-(cyclopropylmethylcarbamoyl)phenyl]carbamoyl]-6-fluorobenzamide is sourced from PubChem (CID 2799401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).