N-[(3-chlorophenyl)methyl]-3-hydroxy-4-methoxy-N-methylbenzamide

C16H16ClNO3 — CID 79593528

IUPACN-[(3-chlorophenyl)methyl]-3-hydroxy-4-methoxy-N-methylbenzamide
SMILESCOc1ccc(C(=O)N(C)Cc2cccc(Cl)c2)cc1O
InChIInChI=1S/C16H16ClNO3/c1-18(10-11-4-3-5-13(17)8-11)16(20)12-6-7-15(21-2)14(19)9-12/h3-9,19H,10H2,1-2H3
InChIKeyPIZWOYDHEDLVEZ-UHFFFAOYSA-N
MW305.76 g/mol
LogP3.33
Rot. Bonds4

About N-[(3-chlorophenyl)methyl]-3-hydroxy-4-methoxy-N-methylbenzamide

N-[(3-chlorophenyl)methyl]-3-hydroxy-4-methoxy-N-methylbenzamide (PubChem CID 79593528) has the molecular formula C16H16ClNO3 and a molecular weight of 305.76 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-3-hydroxy-4-methoxy-N-methylbenzamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-3-hydroxy-4-methoxy-N-methylbenzamide
PubChem CID79593528
Molecular FormulaC16H16ClNO3
Molecular Weight305.76 g/mol
Exact Mass305.08
IUPAC NameN-[(3-chlorophenyl)methyl]-3-hydroxy-4-methoxy-N-methylbenzamide
SMILESCOc1ccc(C(=O)N(C)Cc2cccc(Cl)c2)cc1O
InChIInChI=1S/C16H16ClNO3/c1-18(10-11-4-3-5-13(17)8-11)16(20)12-6-7-15(21-2)14(19)9-12/h3-9,19H,10H2,1-2H3
InChIKeyPIZWOYDHEDLVEZ-UHFFFAOYSA-N
XLogP3.33
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.76
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[(3-chlorophenyl)methyl]-4-methoxy-N-methylbenzamide
CID 61117258
3-hydroxy-4-methoxy-N-methyl-N-(thiophen-3-ylmethyl)benzamide
CID 79673638
N-[(3-chlorophenyl)methyl]-2,5-dimethoxy-N-methylbenzamide
CID 18112540
3-bromo-4-chloro-N-[(3-chlorophenyl)methyl]-N-methylbenzamide
CID 107999288
N-[(3-chlorophenyl)methyl]-2-methoxy-N-methyl-5-sulfamoylbenzamide
CID 18112583
N-[(3-chlorophenyl)methyl]-2-hydroxy-4-methoxy-N-methylbenzamide
CID 31189281
N-[(4-chlorophenyl)methyl]-3,4-dimethoxy-N-methylbenzamide
CID 28632210
3-[[(3,4-dimethoxybenzoyl)-methylamino]methyl]benzoic acid
CID 59190884
3-bromo-4-methoxy-N-methyl-N-[(3-methylphenyl)methyl]benzamide
CID 60737430
N-[(3-chlorophenyl)methyl]-N,2,3-trimethylquinoxaline-6-carboxamide
CID 39966358
N-[(5-chloro-2-methoxyphenyl)methyl]-3,4-dimethoxy-N-methylbenzamide
CID 9182620
N-[(3-chlorophenyl)methyl]-3-ethoxy-N-methyl-4-(pyridin-4-ylmethoxy)benzamide
CID 55557724

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-3-hydroxy-4-methoxy-N-methylbenzamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-3-hydroxy-4-methoxy-N-methylbenzamide (CID 79593528) is N-[(3-chlorophenyl)methyl]-3-hydroxy-4-methoxy-N-methylbenzamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-3-hydroxy-4-methoxy-N-methylbenzamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-3-hydroxy-4-methoxy-N-methylbenzamide is COc1ccc(C(=O)N(C)Cc2cccc(Cl)c2)cc1O.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-3-hydroxy-4-methoxy-N-methylbenzamide?
The InChIKey is PIZWOYDHEDLVEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO3/c1-18(10-11-4-3-5-13(17)8-11)16(20)12-6-7-15(21-2)14(19)9-12/h3-9,19H,10H2,1-2H3.
What are the key properties of N-[(3-chlorophenyl)methyl]-3-hydroxy-4-methoxy-N-methylbenzamide?
N-[(3-chlorophenyl)methyl]-3-hydroxy-4-methoxy-N-methylbenzamide has a molecular weight of 305.76 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-3-hydroxy-4-methoxy-N-methylbenzamide is sourced from PubChem (CID 79593528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).