N-[[4-chloro-3-(hydroxymethyl)phenyl]methyl]acetamide

C10H12ClNO2 — CID 67148459

IUPACN-[[4-chloro-3-(hydroxymethyl)phenyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(Cl)c(CO)c1
InChIInChI=1S/C10H12ClNO2/c1-7(14)12-5-8-2-3-10(11)9(4-8)6-13/h2-4,13H,5-6H2,1H3,(H,12,14)
InChIKeySZHFLVMWACSQLL-UHFFFAOYSA-N
MW213.66 g/mol
LogP1.47
Rot. Bonds3

About N-[[4-chloro-3-(hydroxymethyl)phenyl]methyl]acetamide

N-[[4-chloro-3-(hydroxymethyl)phenyl]methyl]acetamide (PubChem CID 67148459) has the molecular formula C10H12ClNO2 and a molecular weight of 213.66 g/mol. Its IUPAC name is N-[[4-chloro-3-(hydroxymethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[4-chloro-3-(hydroxymethyl)phenyl]methyl]acetamide
PubChem CID67148459
Molecular FormulaC10H12ClNO2
Molecular Weight213.66 g/mol
Exact Mass213.06
IUPAC NameN-[[4-chloro-3-(hydroxymethyl)phenyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(Cl)c(CO)c1
InChIInChI=1S/C10H12ClNO2/c1-7(14)12-5-8-2-3-10(11)9(4-8)6-13/h2-4,13H,5-6H2,1H3,(H,12,14)
InChIKeySZHFLVMWACSQLL-UHFFFAOYSA-N
XLogP1.47
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.66
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-acetyl-2-chlorophenyl)methyl]acetamide
CID 11858678
N-[[3,5-bis(acetamidomethyl)phenyl]methyl]acetamide
CID 70538979
N-[4-[4-chloro-3-(hydroxymethyl)phenyl]-3,4-dihydroxybutyl]acetamide
CID 171882949
N-[(3,5-dichlorophenyl)methyl]acetamide
CID 18425630
N-[[4-chloro-3-[(cyclopropanecarbonylamino)methyl]phenyl]methyl]cyclopropanecarboxamide
CID 67479328
4-(acetamidomethyl)-N-(3,4-dichlorophenyl)benzamide
CID 18194972
2-[4-chloro-3-(hydroxymethyl)phenyl]ethyl-methylcarbamic acid
CID 140558957
N-[[3-chloro-4-(furan-2-yl)phenyl]methyl]acetamide
CID 168528492
4-(acetamidomethyl)benzoyl chloride
CID 13131539
N-[(2-chloro-4-methylphenyl)methyl]acetamide
CID 91098777
ethane;N-[(4-ethylphenyl)methyl]acetamide
CID 143474952
N-[(4-iodophenyl)methyl]acetamide
CID 23111624

Frequently Asked Questions

What is the IUPAC name of N-[[4-chloro-3-(hydroxymethyl)phenyl]methyl]acetamide?
The IUPAC name of N-[[4-chloro-3-(hydroxymethyl)phenyl]methyl]acetamide (CID 67148459) is N-[[4-chloro-3-(hydroxymethyl)phenyl]methyl]acetamide.
What is the SMILES notation for N-[[4-chloro-3-(hydroxymethyl)phenyl]methyl]acetamide?
The canonical SMILES for N-[[4-chloro-3-(hydroxymethyl)phenyl]methyl]acetamide is CC(=O)NCc1ccc(Cl)c(CO)c1.
What is the InChIKey of N-[[4-chloro-3-(hydroxymethyl)phenyl]methyl]acetamide?
The InChIKey is SZHFLVMWACSQLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO2/c1-7(14)12-5-8-2-3-10(11)9(4-8)6-13/h2-4,13H,5-6H2,1H3,(H,12,14).
What are the key properties of N-[[4-chloro-3-(hydroxymethyl)phenyl]methyl]acetamide?
N-[[4-chloro-3-(hydroxymethyl)phenyl]methyl]acetamide has a molecular weight of 213.66 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-chloro-3-(hydroxymethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 67148459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).