N-[4-(5-carbamoyl-2-chlorophenyl)-2-propoxyphenyl]-2-chloro-6-fluoro-N-methylbenzamide

C24H21Cl2FN2O3 — CID 90077964

IUPACN-[4-(5-carbamoyl-2-chlorophenyl)-2-propoxyphenyl]-2-chloro-6-fluoro-N-methylbenzamide
SMILESCCCOc1cc(-c2cc(C(N)=O)ccc2Cl)ccc1N(C)C(=O)c1c(F)cccc1Cl
InChIInChI=1S/C24H21Cl2FN2O3/c1-3-11-32-21-13-14(16-12-15(23(28)30)7-9-17(16)25)8-10-20(21)29(2)24(31)22-18(26)5-4-6-19(22)27/h4-10,12-13H,3,11H2,1-2H3,(H2,28,30)
InChIKeyTYVQDKWNVRWZTM-UHFFFAOYSA-N
MW475.35 g/mol
LogP5.96
Rot. Bonds7

About N-[4-(5-carbamoyl-2-chlorophenyl)-2-propoxyphenyl]-2-chloro-6-fluoro-N-methylbenzamide

N-[4-(5-carbamoyl-2-chlorophenyl)-2-propoxyphenyl]-2-chloro-6-fluoro-N-methylbenzamide (PubChem CID 90077964) has the molecular formula C24H21Cl2FN2O3 and a molecular weight of 475.35 g/mol. Its IUPAC name is N-[4-(5-carbamoyl-2-chlorophenyl)-2-propoxyphenyl]-2-chloro-6-fluoro-N-methylbenzamide.

Molecular Properties

Compound NameN-[4-(5-carbamoyl-2-chlorophenyl)-2-propoxyphenyl]-2-chloro-6-fluoro-N-methylbenzamide
PubChem CID90077964
Molecular FormulaC24H21Cl2FN2O3
Molecular Weight475.35 g/mol
Exact Mass474.09
IUPAC NameN-[4-(5-carbamoyl-2-chlorophenyl)-2-propoxyphenyl]-2-chloro-6-fluoro-N-methylbenzamide
SMILESCCCOc1cc(-c2cc(C(N)=O)ccc2Cl)ccc1N(C)C(=O)c1c(F)cccc1Cl
InChIInChI=1S/C24H21Cl2FN2O3/c1-3-11-32-21-13-14(16-12-15(23(28)30)7-9-17(16)25)8-10-20(21)29(2)24(31)22-18(26)5-4-6-19(22)27/h4-10,12-13H,3,11H2,1-2H3,(H2,28,30)
InChIKeyTYVQDKWNVRWZTM-UHFFFAOYSA-N
XLogP5.96
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.35
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-Chloro-4'-[(2-Chloro-6-Fluorobenzoyl)(Methyl)amino]-3'-(2,2,2-Trifluoroethoxy)biphenyl-3-Carboxamide
CID 72721388
(3-Chloro-4-fluorophenyl)-[4-fluoro-4-[[2-[2-(methylamino)phenoxy]ethylamino]methyl]piperidin-1-yl]methanone
CID 132257265
4-chloro-N-[4-(2-ethoxyanilino)-4-oxobutyl]benzamide
CID 4857924
(4R)-1-[4-[(2-chloro-5-fluorobenzoyl)amino]-3-ethoxybenzoyl]spiro[3,5-dihydro-2H-1-benzazepine-4,3'-cyclopentene]-1'-carboxylic acid
CID 11238362
N-[4-(5-carbamoyl-2-chlorophenyl)-2-ethoxyphenyl]-2-chloro-6-fluoro-N-methylbenzamide
CID 90077960
N-[4-(5-carbamoyl-2-chlorophenyl)-2-propan-2-yloxyphenyl]-2-chloro-6-fluoro-N-methylbenzamide
CID 90077969
N-[2-[[(1S,5R)-3-bicyclo[3.1.0]hexanyl]oxy]-4-(5-carbamoyl-2-chlorophenyl)phenyl]-2-chloro-6-fluoro-N-methylbenzamide
CID 90078028
N-[4-(5-carbamoyl-2-chlorophenyl)-2-methoxyphenyl]-2-chloro-6-fluoro-N-methylbenzamide
CID 90078240
4-chloro-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide
CID 118063107
2,4-dichloro-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide
CID 118063240
N-[2-butoxy-4-(5-carbamoyl-2-chlorophenyl)phenyl]-2-chloro-6-fluoro-N-methylbenzamide
CID 122182885
Lithium 2-[(2,4-dichlorobenzoyl)amino]-5-(3-ethoxyphenyl)benzoate
CID 44345355

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-carbamoyl-2-chlorophenyl)-2-propoxyphenyl]-2-chloro-6-fluoro-N-methylbenzamide?
The IUPAC name of N-[4-(5-carbamoyl-2-chlorophenyl)-2-propoxyphenyl]-2-chloro-6-fluoro-N-methylbenzamide (CID 90077964) is N-[4-(5-carbamoyl-2-chlorophenyl)-2-propoxyphenyl]-2-chloro-6-fluoro-N-methylbenzamide.
What is the SMILES notation for N-[4-(5-carbamoyl-2-chlorophenyl)-2-propoxyphenyl]-2-chloro-6-fluoro-N-methylbenzamide?
The canonical SMILES for N-[4-(5-carbamoyl-2-chlorophenyl)-2-propoxyphenyl]-2-chloro-6-fluoro-N-methylbenzamide is CCCOc1cc(-c2cc(C(N)=O)ccc2Cl)ccc1N(C)C(=O)c1c(F)cccc1Cl.
What is the InChIKey of N-[4-(5-carbamoyl-2-chlorophenyl)-2-propoxyphenyl]-2-chloro-6-fluoro-N-methylbenzamide?
The InChIKey is TYVQDKWNVRWZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21Cl2FN2O3/c1-3-11-32-21-13-14(16-12-15(23(28)30)7-9-17(16)25)8-10-20(21)29(2)24(31)22-18(26)5-4-6-19(22)27/h4-10,12-13H,3,11H2,1-2H3,(H2,28,30).
What are the key properties of N-[4-(5-carbamoyl-2-chlorophenyl)-2-propoxyphenyl]-2-chloro-6-fluoro-N-methylbenzamide?
N-[4-(5-carbamoyl-2-chlorophenyl)-2-propoxyphenyl]-2-chloro-6-fluoro-N-methylbenzamide has a molecular weight of 475.35 g/mol, XLogP of 5.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-carbamoyl-2-chlorophenyl)-2-propoxyphenyl]-2-chloro-6-fluoro-N-methylbenzamide is sourced from PubChem (CID 90077964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).