N-(3-chloropropyl)-2-(2-hydroxyphenyl)-N-propan-2-ylacetamide

C14H20ClNO2 — CID 80740905

IUPACN-(3-chloropropyl)-2-(2-hydroxyphenyl)-N-propan-2-ylacetamide
SMILESCC(C)N(CCCCl)C(=O)Cc1ccccc1O
InChIInChI=1S/C14H20ClNO2/c1-11(2)16(9-5-8-15)14(18)10-12-6-3-4-7-13(12)17/h3-4,6-7,11,17H,5,8-10H2,1-2H3
InChIKeyMLDZIVQEMFTMLG-UHFFFAOYSA-N
MW269.77 g/mol
LogP2.80
Rot. Bonds6

About N-(3-chloropropyl)-2-(2-hydroxyphenyl)-N-propan-2-ylacetamide

N-(3-chloropropyl)-2-(2-hydroxyphenyl)-N-propan-2-ylacetamide (PubChem CID 80740905) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is N-(3-chloropropyl)-2-(2-hydroxyphenyl)-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-(3-chloropropyl)-2-(2-hydroxyphenyl)-N-propan-2-ylacetamide
PubChem CID80740905
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC NameN-(3-chloropropyl)-2-(2-hydroxyphenyl)-N-propan-2-ylacetamide
SMILESCC(C)N(CCCCl)C(=O)Cc1ccccc1O
InChIInChI=1S/C14H20ClNO2/c1-11(2)16(9-5-8-15)14(18)10-12-6-3-4-7-13(12)17/h3-4,6-7,11,17H,5,8-10H2,1-2H3
InChIKeyMLDZIVQEMFTMLG-UHFFFAOYSA-N
XLogP2.80
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(3-chloropropyl)-2-(2-fluorophenyl)-N-propan-2-ylacetamide
CID 55183329
N-(2-chloroethyl)-2-(2-fluorophenyl)-N-propan-2-ylacetamide
CID 55185523
N-(3-chloropropyl)-2-(4-methylphenyl)-N-propan-2-ylacetamide
CID 55183334
4-[[2-(2-chlorophenyl)acetyl]-propan-2-ylamino]butanoic acid
CID 60825695
N-(3-chloropropyl)-2-(3,4-dimethylphenyl)-N-propan-2-ylacetamide
CID 63390601
4-[[2-(2-fluorophenyl)acetyl]-propan-2-ylamino]butanoic acid
CID 60830925
2-(2-aminophenyl)-N-pentyl-N-propan-2-ylacetamide
CID 61105636
N-(3-aminopropyl)-2-naphthalen-1-yl-N-propan-2-ylacetamide
CID 43319276
N-(3-chloropropyl)-N-propan-2-yl-2,3-dihydro-1H-indene-2-carboxamide
CID 106894177
N-(3-chloropropyl)-2-fluoro-N-propan-2-ylbenzamide
CID 63390556
N-(3-chloropropyl)-2-ethoxy-N-propan-2-ylbenzamide
CID 63391137
N-(1-bromopropan-2-yl)-2-(2-hydroxyphenyl)-N-methylacetamide
CID 104556210

Frequently Asked Questions

What is the IUPAC name of N-(3-chloropropyl)-2-(2-hydroxyphenyl)-N-propan-2-ylacetamide?
The IUPAC name of N-(3-chloropropyl)-2-(2-hydroxyphenyl)-N-propan-2-ylacetamide (CID 80740905) is N-(3-chloropropyl)-2-(2-hydroxyphenyl)-N-propan-2-ylacetamide.
What is the SMILES notation for N-(3-chloropropyl)-2-(2-hydroxyphenyl)-N-propan-2-ylacetamide?
The canonical SMILES for N-(3-chloropropyl)-2-(2-hydroxyphenyl)-N-propan-2-ylacetamide is CC(C)N(CCCCl)C(=O)Cc1ccccc1O.
What is the InChIKey of N-(3-chloropropyl)-2-(2-hydroxyphenyl)-N-propan-2-ylacetamide?
The InChIKey is MLDZIVQEMFTMLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-11(2)16(9-5-8-15)14(18)10-12-6-3-4-7-13(12)17/h3-4,6-7,11,17H,5,8-10H2,1-2H3.
What are the key properties of N-(3-chloropropyl)-2-(2-hydroxyphenyl)-N-propan-2-ylacetamide?
N-(3-chloropropyl)-2-(2-hydroxyphenyl)-N-propan-2-ylacetamide has a molecular weight of 269.77 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloropropyl)-2-(2-hydroxyphenyl)-N-propan-2-ylacetamide is sourced from PubChem (CID 80740905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).