4-[4-[(3-chloro-2-methylphenyl)carbamoyl]phenoxy]benzamide

C21H17ClN2O3 — CID 56545392

IUPAC4-[4-[(3-chloro-2-methylphenyl)carbamoyl]phenoxy]benzamide
SMILESCc1c(Cl)cccc1NC(=O)c1ccc(Oc2ccc(C(N)=O)cc2)cc1
InChIInChI=1S/C21H17ClN2O3/c1-13-18(22)3-2-4-19(13)24-21(26)15-7-11-17(12-8-15)27-16-9-5-14(6-10-16)20(23)25/h2-12H,1H3,(H2,23,25)(H,24,26)
InChIKeyXVCJTAQKZJBCFN-UHFFFAOYSA-N
MW380.83 g/mol
LogP4.79
Rot. Bonds5

About 4-[4-[(3-chloro-2-methylphenyl)carbamoyl]phenoxy]benzamide

4-[4-[(3-chloro-2-methylphenyl)carbamoyl]phenoxy]benzamide (PubChem CID 56545392) has the molecular formula C21H17ClN2O3 and a molecular weight of 380.83 g/mol. Its IUPAC name is 4-[4-[(3-chloro-2-methylphenyl)carbamoyl]phenoxy]benzamide.

Molecular Properties

Compound Name4-[4-[(3-chloro-2-methylphenyl)carbamoyl]phenoxy]benzamide
PubChem CID56545392
Molecular FormulaC21H17ClN2O3
Molecular Weight380.83 g/mol
Exact Mass380.09
IUPAC Name4-[4-[(3-chloro-2-methylphenyl)carbamoyl]phenoxy]benzamide
SMILESCc1c(Cl)cccc1NC(=O)c1ccc(Oc2ccc(C(N)=O)cc2)cc1
InChIInChI=1S/C21H17ClN2O3/c1-13-18(22)3-2-4-19(13)24-21(26)15-7-11-17(12-8-15)27-16-9-5-14(6-10-16)20(23)25/h2-12H,1H3,(H2,23,25)(H,24,26)
InChIKeyXVCJTAQKZJBCFN-UHFFFAOYSA-N
XLogP4.79
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.83
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-2-methylphenyl)-4-propan-2-yloxybenzamide
CID 886785
N-(3-chloro-2-methylphenyl)-3-phenoxybenzamide
CID 2092667
N-(2,3-dichlorophenyl)-4-[4-[(2,3-dichlorophenyl)carbamoyl]phenoxy]benzamide
CID 3396392
N-(3-chloro-2-methylphenyl)-4-ethylbenzamide
CID 2671399
N-(3-chloro-2-methylphenyl)-4-methylsulfanylbenzamide
CID 8574861
N-(3-chloro-2-methylphenyl)-3,5-dimethoxybenzamide
CID 795808
butyl 2-[4-[(3-chloro-2-methylphenyl)carbamoyl]phenoxy]propanoate
CID 5076941
3-carbamothioyl-N-(3-chloro-2-methylphenyl)benzamide
CID 29302193
3-chloro-N-(3-chloro-2-methylphenyl)-4-methoxybenzamide
CID 798477
N-(3-chloro-2-methylphenyl)-4-(tetrazolidin-5-yl)benzamide
CID 73390326
N-(2,3-dimethylphenyl)-4-(3-methylphenoxy)benzamide
CID 16650988
N-(3-chloro-2-methylphenyl)-4-[(3-methylphenoxy)methyl]benzamide
CID 3562657

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(3-chloro-2-methylphenyl)carbamoyl]phenoxy]benzamide?
The IUPAC name of 4-[4-[(3-chloro-2-methylphenyl)carbamoyl]phenoxy]benzamide (CID 56545392) is 4-[4-[(3-chloro-2-methylphenyl)carbamoyl]phenoxy]benzamide.
What is the SMILES notation for 4-[4-[(3-chloro-2-methylphenyl)carbamoyl]phenoxy]benzamide?
The canonical SMILES for 4-[4-[(3-chloro-2-methylphenyl)carbamoyl]phenoxy]benzamide is Cc1c(Cl)cccc1NC(=O)c1ccc(Oc2ccc(C(N)=O)cc2)cc1.
What is the InChIKey of 4-[4-[(3-chloro-2-methylphenyl)carbamoyl]phenoxy]benzamide?
The InChIKey is XVCJTAQKZJBCFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN2O3/c1-13-18(22)3-2-4-19(13)24-21(26)15-7-11-17(12-8-15)27-16-9-5-14(6-10-16)20(23)25/h2-12H,1H3,(H2,23,25)(H,24,26).
What are the key properties of 4-[4-[(3-chloro-2-methylphenyl)carbamoyl]phenoxy]benzamide?
4-[4-[(3-chloro-2-methylphenyl)carbamoyl]phenoxy]benzamide has a molecular weight of 380.83 g/mol, XLogP of 4.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(3-chloro-2-methylphenyl)carbamoyl]phenoxy]benzamide is sourced from PubChem (CID 56545392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).