N-[(3-chlorophenyl)methyl]-4-(methoxymethyl)benzamide

C16H16ClNO2 — CID 51176578

IUPACN-[(3-chlorophenyl)methyl]-4-(methoxymethyl)benzamide
SMILESCOCc1ccc(C(=O)NCc2cccc(Cl)c2)cc1
InChIInChI=1S/C16H16ClNO2/c1-20-11-12-5-7-14(8-6-12)16(19)18-10-13-3-2-4-15(17)9-13/h2-9H,10-11H2,1H3,(H,18,19)
InChIKeyPXOZHTISQVQPKR-UHFFFAOYSA-N
MW289.76 g/mol
LogP3.42
Rot. Bonds5

About N-[(3-chlorophenyl)methyl]-4-(methoxymethyl)benzamide

N-[(3-chlorophenyl)methyl]-4-(methoxymethyl)benzamide (PubChem CID 51176578) has the molecular formula C16H16ClNO2 and a molecular weight of 289.76 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-4-(methoxymethyl)benzamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-4-(methoxymethyl)benzamide
PubChem CID51176578
Molecular FormulaC16H16ClNO2
Molecular Weight289.76 g/mol
Exact Mass289.09
IUPAC NameN-[(3-chlorophenyl)methyl]-4-(methoxymethyl)benzamide
SMILESCOCc1ccc(C(=O)NCc2cccc(Cl)c2)cc1
InChIInChI=1S/C16H16ClNO2/c1-20-11-12-5-7-14(8-6-12)16(19)18-10-13-3-2-4-15(17)9-13/h2-9H,10-11H2,1H3,(H,18,19)
InChIKeyPXOZHTISQVQPKR-UHFFFAOYSA-N
XLogP3.42
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.76
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-chlorophenyl)methyl]-3-[[4-(methoxymethyl)phenyl]methyl]-2-methylguanidine
CID 111176994
1-N,3-N-bis[(3-chlorophenyl)methyl]-4-methoxybenzene-1,3-dicarboxamide
CID 71608078
N-[(3-chlorophenyl)methyl]-3,4,5-trimethoxybenzamide
CID 2681202
3-amino-4-chloro-N-[[3-(methoxymethyl)phenyl]methyl]benzamide
CID 61003064
N-ethyl-4-[[[4-(methoxymethyl)benzoyl]amino]methyl]benzamide
CID 86990014
N-[(3-chlorophenyl)methyl]-3-ethoxy-4-methoxybenzamide
CID 51158727
N-[(3-chlorophenyl)methyl]-3-hydroxy-4-methylbenzamide
CID 60699247
N-[(3-chlorophenyl)methyl]-2-methoxyacetamide
CID 60636717
N-[[4-[(3-chlorophenyl)methylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 55753115
N-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]-4-methylbenzamide
CID 46651307
N-[(3-chlorophenyl)methyl]-5-methylthiophene-3-carboxamide
CID 1246739
3-bromo-N-[[4-(methoxymethyl)phenyl]methyl]benzamide
CID 39271149

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-4-(methoxymethyl)benzamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-4-(methoxymethyl)benzamide (CID 51176578) is N-[(3-chlorophenyl)methyl]-4-(methoxymethyl)benzamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-4-(methoxymethyl)benzamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-4-(methoxymethyl)benzamide is COCc1ccc(C(=O)NCc2cccc(Cl)c2)cc1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-4-(methoxymethyl)benzamide?
The InChIKey is PXOZHTISQVQPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2/c1-20-11-12-5-7-14(8-6-12)16(19)18-10-13-3-2-4-15(17)9-13/h2-9H,10-11H2,1H3,(H,18,19).
What are the key properties of N-[(3-chlorophenyl)methyl]-4-(methoxymethyl)benzamide?
N-[(3-chlorophenyl)methyl]-4-(methoxymethyl)benzamide has a molecular weight of 289.76 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-4-(methoxymethyl)benzamide is sourced from PubChem (CID 51176578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).