N-[(4-chlorophenyl)methyl]-2,4-bis(hydroxymethyl)benzamide

C16H16ClNO3 — CID 90945452

IUPACN-[(4-chlorophenyl)methyl]-2,4-bis(hydroxymethyl)benzamide
SMILESO=C(NCc1ccc(Cl)cc1)c1ccc(CO)cc1CO
InChIInChI=1S/C16H16ClNO3/c17-14-4-1-11(2-5-14)8-18-16(21)15-6-3-12(9-19)7-13(15)10-20/h1-7,19-20H,8-10H2,(H,18,21)
InChIKeyPHIWEFJZRROSRK-UHFFFAOYSA-N
MW305.76 g/mol
LogP2.25
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-2,4-bis(hydroxymethyl)benzamide

N-[(4-chlorophenyl)methyl]-2,4-bis(hydroxymethyl)benzamide (PubChem CID 90945452) has the molecular formula C16H16ClNO3 and a molecular weight of 305.76 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2,4-bis(hydroxymethyl)benzamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2,4-bis(hydroxymethyl)benzamide
PubChem CID90945452
Molecular FormulaC16H16ClNO3
Molecular Weight305.76 g/mol
Exact Mass305.08
IUPAC NameN-[(4-chlorophenyl)methyl]-2,4-bis(hydroxymethyl)benzamide
SMILESO=C(NCc1ccc(Cl)cc1)c1ccc(CO)cc1CO
InChIInChI=1S/C16H16ClNO3/c17-14-4-1-11(2-5-14)8-18-16(21)15-6-3-12(9-19)7-13(15)10-20/h1-7,19-20H,8-10H2,(H,18,21)
InChIKeyPHIWEFJZRROSRK-UHFFFAOYSA-N
XLogP2.25
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.76
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-fluoro-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide
CID 107230315
2,4-dichloro-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
CID 63311480
N-[(4-chlorophenyl)methyl]-4-hydroxy-2-methylbenzamide
CID 103863411
N-[(4-chlorophenyl)methyl]-2-hydroxy-4-methylbenzamide
CID 25243582
3,5-dichloro-N-[[4-(hydroxymethyl)phenyl]methyl]-2-iodobenzamide
CID 107232664
2-amino-N-[(4-chlorophenyl)methyl]-4-fluorobenzamide
CID 62073957
2-amino-4-bromo-N-[(4-chlorophenyl)methyl]benzamide
CID 79714993
4-chloro-2-ethoxy-N-[[4-fluoro-3-(hydroxymethyl)phenyl]methyl]benzamide
CID 110008175
2-fluoro-4-hydroxy-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide
CID 107675567
2-amino-N-[(4-chlorophenyl)methyl]benzamide
CID 7312564
N-[[4-(2-aminoethyl)phenyl]methyl]-2,4-dichlorobenzamide
CID 62502829
3-chloro-4-fluoro-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide
CID 107231671

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2,4-bis(hydroxymethyl)benzamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2,4-bis(hydroxymethyl)benzamide (CID 90945452) is N-[(4-chlorophenyl)methyl]-2,4-bis(hydroxymethyl)benzamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2,4-bis(hydroxymethyl)benzamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2,4-bis(hydroxymethyl)benzamide is O=C(NCc1ccc(Cl)cc1)c1ccc(CO)cc1CO.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2,4-bis(hydroxymethyl)benzamide?
The InChIKey is PHIWEFJZRROSRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO3/c17-14-4-1-11(2-5-14)8-18-16(21)15-6-3-12(9-19)7-13(15)10-20/h1-7,19-20H,8-10H2,(H,18,21).
What are the key properties of N-[(4-chlorophenyl)methyl]-2,4-bis(hydroxymethyl)benzamide?
N-[(4-chlorophenyl)methyl]-2,4-bis(hydroxymethyl)benzamide has a molecular weight of 305.76 g/mol, XLogP of 2.25, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2,4-bis(hydroxymethyl)benzamide is sourced from PubChem (CID 90945452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).