N-[3-[(4-chloro-2-fluorobenzoyl)amino]-4-methoxyphenyl]-3-fluoro-4-methylbenzamide

C22H17ClF2N2O3 — CID 52701788

IUPACN-[3-[(4-chloro-2-fluorobenzoyl)amino]-4-methoxyphenyl]-3-fluoro-4-methylbenzamide
SMILESCOc1ccc(NC(=O)c2ccc(C)c(F)c2)cc1NC(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C22H17ClF2N2O3/c1-12-3-4-13(9-17(12)24)21(28)26-15-6-8-20(30-2)19(11-15)27-22(29)16-7-5-14(23)10-18(16)25/h3-11H,1-2H3,(H,26,28)(H,27,29)
InChIKeyLYKNUDVNNOUSLK-UHFFFAOYSA-N
MW430.84 g/mol
LogP5.44
Rot. Bonds5

About N-[3-[(4-chloro-2-fluorobenzoyl)amino]-4-methoxyphenyl]-3-fluoro-4-methylbenzamide

N-[3-[(4-chloro-2-fluorobenzoyl)amino]-4-methoxyphenyl]-3-fluoro-4-methylbenzamide (PubChem CID 52701788) has the molecular formula C22H17ClF2N2O3 and a molecular weight of 430.84 g/mol. Its IUPAC name is N-[3-[(4-chloro-2-fluorobenzoyl)amino]-4-methoxyphenyl]-3-fluoro-4-methylbenzamide.

Molecular Properties

Compound NameN-[3-[(4-chloro-2-fluorobenzoyl)amino]-4-methoxyphenyl]-3-fluoro-4-methylbenzamide
PubChem CID52701788
Molecular FormulaC22H17ClF2N2O3
Molecular Weight430.84 g/mol
Exact Mass430.09
IUPAC NameN-[3-[(4-chloro-2-fluorobenzoyl)amino]-4-methoxyphenyl]-3-fluoro-4-methylbenzamide
SMILESCOc1ccc(NC(=O)c2ccc(C)c(F)c2)cc1NC(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C22H17ClF2N2O3/c1-12-3-4-13(9-17(12)24)21(28)26-15-6-8-20(30-2)19(11-15)27-22(29)16-7-5-14(23)10-18(16)25/h3-11H,1-2H3,(H,26,28)(H,27,29)
InChIKeyLYKNUDVNNOUSLK-UHFFFAOYSA-N
XLogP5.44
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.84
LogP ≤ 55.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-N-[4-methoxy-3-[(4-methoxybenzoyl)amino]phenyl]-4-methylbenzamide
CID 46323189
N-[5-[(4-chloro-2-methylbenzoyl)amino]-2-methylphenyl]-3,4-dimethoxybenzamide
CID 54539819
4-chloro-2-fluoro-N-[5-[(2-hydroxybenzoyl)amino]-2-methoxyphenyl]benzamide
CID 52701764
3-fluoro-N-[3-(methanesulfonamido)-4-methoxyphenyl]-4-methylbenzamide
CID 39975934
4-chloro-2-fluoro-N-[2-methoxy-5-[[4-(1,3-oxazol-5-yl)benzoyl]amino]phenyl]benzamide
CID 55889947
N-[5-[(2-benzamidoacetyl)amino]-2-methoxyphenyl]-4-chloro-2-fluorobenzamide
CID 55945079
N-[3-[(4-chloro-2-fluorobenzoyl)amino]-4-methoxyphenyl]-1H-pyrazole-5-carboxamide
CID 47063466
N-(5-chloro-2-methoxyphenyl)-2-fluoro-4-methylbenzamide
CID 79770618
4-chloro-2-fluoro-N-[5-(hexanoylamino)-2-methoxyphenyl]benzamide
CID 55890582
N-(4-chloro-2-fluorophenyl)-3-methoxy-4-methylbenzamide
CID 26690340
4-chloro-2-fluoro-N-[2-methoxy-5-(4-phenoxybutanoylamino)phenyl]benzamide
CID 55890069
4-bromo-N-(5-chloro-2-methoxyphenyl)-2-fluorobenzamide
CID 26688337

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-chloro-2-fluorobenzoyl)amino]-4-methoxyphenyl]-3-fluoro-4-methylbenzamide?
The IUPAC name of N-[3-[(4-chloro-2-fluorobenzoyl)amino]-4-methoxyphenyl]-3-fluoro-4-methylbenzamide (CID 52701788) is N-[3-[(4-chloro-2-fluorobenzoyl)amino]-4-methoxyphenyl]-3-fluoro-4-methylbenzamide.
What is the SMILES notation for N-[3-[(4-chloro-2-fluorobenzoyl)amino]-4-methoxyphenyl]-3-fluoro-4-methylbenzamide?
The canonical SMILES for N-[3-[(4-chloro-2-fluorobenzoyl)amino]-4-methoxyphenyl]-3-fluoro-4-methylbenzamide is COc1ccc(NC(=O)c2ccc(C)c(F)c2)cc1NC(=O)c1ccc(Cl)cc1F.
What is the InChIKey of N-[3-[(4-chloro-2-fluorobenzoyl)amino]-4-methoxyphenyl]-3-fluoro-4-methylbenzamide?
The InChIKey is LYKNUDVNNOUSLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClF2N2O3/c1-12-3-4-13(9-17(12)24)21(28)26-15-6-8-20(30-2)19(11-15)27-22(29)16-7-5-14(23)10-18(16)25/h3-11H,1-2H3,(H,26,28)(H,27,29).
What are the key properties of N-[3-[(4-chloro-2-fluorobenzoyl)amino]-4-methoxyphenyl]-3-fluoro-4-methylbenzamide?
N-[3-[(4-chloro-2-fluorobenzoyl)amino]-4-methoxyphenyl]-3-fluoro-4-methylbenzamide has a molecular weight of 430.84 g/mol, XLogP of 5.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-chloro-2-fluorobenzoyl)amino]-4-methoxyphenyl]-3-fluoro-4-methylbenzamide is sourced from PubChem (CID 52701788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).