N-(3-chloro-4-methoxyphenyl)-2-(phenoxymethyl)benzamide

C21H18ClNO3 — CID 17428367

IUPACN-(3-chloro-4-methoxyphenyl)-2-(phenoxymethyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccccc2COc2ccccc2)cc1Cl
InChIInChI=1S/C21H18ClNO3/c1-25-20-12-11-16(13-19(20)22)23-21(24)18-10-6-5-7-15(18)14-26-17-8-3-2-4-9-17/h2-13H,14H2,1H3,(H,23,24)
InChIKeySXZLMAYZUJKQEO-UHFFFAOYSA-N
MW367.83 g/mol
LogP5.18
Rot. Bonds6

About N-(3-chloro-4-methoxyphenyl)-2-(phenoxymethyl)benzamide

N-(3-chloro-4-methoxyphenyl)-2-(phenoxymethyl)benzamide (PubChem CID 17428367) has the molecular formula C21H18ClNO3 and a molecular weight of 367.83 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-2-(phenoxymethyl)benzamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-2-(phenoxymethyl)benzamide
PubChem CID17428367
Molecular FormulaC21H18ClNO3
Molecular Weight367.83 g/mol
Exact Mass367.10
IUPAC NameN-(3-chloro-4-methoxyphenyl)-2-(phenoxymethyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccccc2COc2ccccc2)cc1Cl
InChIInChI=1S/C21H18ClNO3/c1-25-20-12-11-16(13-19(20)22)23-21(24)18-10-6-5-7-15(18)14-26-17-8-3-2-4-9-17/h2-13H,14H2,1H3,(H,23,24)
InChIKeySXZLMAYZUJKQEO-UHFFFAOYSA-N
XLogP5.18
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.83
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-5-(phenoxymethyl)furan-2-carboxamide
CID 7341802
N-(3-chloro-4-methoxyphenyl)-2-(2-methoxyethoxy)benzamide
CID 17355423
N-(3-chloro-4-methoxyphenyl)-3-[(2-cyanophenyl)methoxy]benzamide
CID 52738693
N-(3-chloro-4-methoxyphenyl)-2-(2-phenylethoxy)benzamide
CID 19628178
N-(3-chloro-4-methoxyphenyl)-2-(2-methylpropoxy)benzamide
CID 4945530
N-[2-[(3-chloro-4-methoxyphenyl)carbamoyl]phenyl]-3,4-dimethoxybenzamide
CID 2185661
N-(3-chloro-4-methoxyphenyl)-2-methoxy-3-methylbenzamide
CID 2993738
4-(2-anilino-2-oxoethoxy)-N-(3-chloro-4-methoxyphenyl)benzamide
CID 1191645
2-chloro-N-[[3-chloro-4-(phenoxymethyl)phenyl]carbamoyl]benzamide
CID 70576608
N-(3-ethynylphenyl)-2-(phenoxymethyl)benzamide
CID 24676287
methyl 2-[(3-chloro-4-methoxyphenyl)carbamoylamino]benzoate
CID 108991935
N'-(3-chloro-4-methoxyphenyl)-N-[(2-methylphenyl)methyl]oxamide
CID 108984615

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-(phenoxymethyl)benzamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-(phenoxymethyl)benzamide (CID 17428367) is N-(3-chloro-4-methoxyphenyl)-2-(phenoxymethyl)benzamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-2-(phenoxymethyl)benzamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-2-(phenoxymethyl)benzamide is COc1ccc(NC(=O)c2ccccc2COc2ccccc2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-2-(phenoxymethyl)benzamide?
The InChIKey is SXZLMAYZUJKQEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClNO3/c1-25-20-12-11-16(13-19(20)22)23-21(24)18-10-6-5-7-15(18)14-26-17-8-3-2-4-9-17/h2-13H,14H2,1H3,(H,23,24).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-2-(phenoxymethyl)benzamide?
N-(3-chloro-4-methoxyphenyl)-2-(phenoxymethyl)benzamide has a molecular weight of 367.83 g/mol, XLogP of 5.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-2-(phenoxymethyl)benzamide is sourced from PubChem (CID 17428367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).