N-(3-chloro-2-methylphenyl)-3-(oxolan-2-yl)propanamide

C14H18ClNO2 — CID 42956717

IUPACN-(3-chloro-2-methylphenyl)-3-(oxolan-2-yl)propanamide
SMILESCc1c(Cl)cccc1NC(=O)CCC1CCCO1
InChIInChI=1S/C14H18ClNO2/c1-10-12(15)5-2-6-13(10)16-14(17)8-7-11-4-3-9-18-11/h2,5-6,11H,3-4,7-9H2,1H3,(H,16,17)
InChIKeySNYQWXOZHHNIPE-UHFFFAOYSA-N
MW267.76 g/mol
LogP3.55
Rot. Bonds4

About N-(3-chloro-2-methylphenyl)-3-(oxolan-2-yl)propanamide

N-(3-chloro-2-methylphenyl)-3-(oxolan-2-yl)propanamide (PubChem CID 42956717) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-3-(oxolan-2-yl)propanamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-3-(oxolan-2-yl)propanamide
PubChem CID42956717
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC NameN-(3-chloro-2-methylphenyl)-3-(oxolan-2-yl)propanamide
SMILESCc1c(Cl)cccc1NC(=O)CCC1CCCO1
InChIInChI=1S/C14H18ClNO2/c1-10-12(15)5-2-6-13(10)16-14(17)8-7-11-4-3-9-18-11/h2,5-6,11H,3-4,7-9H2,1H3,(H,16,17)
InChIKeySNYQWXOZHHNIPE-UHFFFAOYSA-N
XLogP3.55
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chlorophenyl)-3-[(2R)-oxolan-2-yl]propanamide
CID 39087895
N-[2-methyl-3-[3-(oxolan-2-yl)propanoylamino]phenyl]benzamide
CID 87028458
3-(3-chloro-2-methylanilino)-N-(oxolan-2-ylmethyl)propanamide
CID 109015906
N,N'-bis(3-chloro-2-methylphenyl)butanediamide
CID 1226548
N-(3-chloro-4-methylphenyl)-3-(oxolan-2-yl)propanamide
CID 42956710
N-(3-chloro-2-methylphenyl)-2-[4-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54821519
1-(3-chloro-2-methylphenyl)-3-[[(2S)-oxolan-2-yl]methyl]thiourea
CID 800709
N-(2-chloro-5-iodophenyl)-3-(oxolan-2-yl)propanamide
CID 113255393
N-(5-amino-2-chlorophenyl)-3-(oxolan-2-yl)propanamide
CID 65157307
N-[N-(3-chloro-2-methylphenyl)-N'-[[(2R)-oxolan-2-yl]methyl]carbamimidoyl]benzamide
CID 94089664
2-(3-chloro-2-methylanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54812939
N-[2-(ethylaminomethyl)phenyl]-3-(oxolan-2-yl)propanamide
CID 65160577

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-3-(oxolan-2-yl)propanamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-3-(oxolan-2-yl)propanamide (CID 42956717) is N-(3-chloro-2-methylphenyl)-3-(oxolan-2-yl)propanamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-3-(oxolan-2-yl)propanamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-3-(oxolan-2-yl)propanamide is Cc1c(Cl)cccc1NC(=O)CCC1CCCO1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-3-(oxolan-2-yl)propanamide?
The InChIKey is SNYQWXOZHHNIPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c1-10-12(15)5-2-6-13(10)16-14(17)8-7-11-4-3-9-18-11/h2,5-6,11H,3-4,7-9H2,1H3,(H,16,17).
What are the key properties of N-(3-chloro-2-methylphenyl)-3-(oxolan-2-yl)propanamide?
N-(3-chloro-2-methylphenyl)-3-(oxolan-2-yl)propanamide has a molecular weight of 267.76 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-3-(oxolan-2-yl)propanamide is sourced from PubChem (CID 42956717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).