3-(3-chloro-2-methylanilino)-N-(oxolan-2-ylmethyl)propanamide

C15H21ClN2O2 — CID 109015906

IUPAC3-(3-chloro-2-methylanilino)-N-(oxolan-2-ylmethyl)propanamide
SMILESCc1c(Cl)cccc1NCCC(=O)NCC1CCCO1
InChIInChI=1S/C15H21ClN2O2/c1-11-13(16)5-2-6-14(11)17-8-7-15(19)18-10-12-4-3-9-20-12/h2,5-6,12,17H,3-4,7-10H2,1H3,(H,18,19)
InChIKeyHTDPNMUYLZBEFJ-UHFFFAOYSA-N
MW296.80 g/mol
LogP2.75
Rot. Bonds6

About 3-(3-chloro-2-methylanilino)-N-(oxolan-2-ylmethyl)propanamide

3-(3-chloro-2-methylanilino)-N-(oxolan-2-ylmethyl)propanamide (PubChem CID 109015906) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 3-(3-chloro-2-methylanilino)-N-(oxolan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(3-chloro-2-methylanilino)-N-(oxolan-2-ylmethyl)propanamide
PubChem CID109015906
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name3-(3-chloro-2-methylanilino)-N-(oxolan-2-ylmethyl)propanamide
SMILESCc1c(Cl)cccc1NCCC(=O)NCC1CCCO1
InChIInChI=1S/C15H21ClN2O2/c1-11-13(16)5-2-6-14(11)17-8-7-15(19)18-10-12-4-3-9-20-12/h2,5-6,12,17H,3-4,7-10H2,1H3,(H,18,19)
InChIKeyHTDPNMUYLZBEFJ-UHFFFAOYSA-N
XLogP2.75
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,5-dichloroanilino)-N-(oxolan-2-ylmethyl)propanamide
CID 109015968
1-(3-chloro-2-methylphenyl)-3-[[(2S)-oxolan-2-yl]methyl]thiourea
CID 800709
N-(3-chloro-2-methylphenyl)-3-(oxolan-2-yl)propanamide
CID 42956717
2-(3-chloro-2-methylanilino)-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide
CID 109252426
4-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-[[(2R)-oxolan-2-yl]methyl]butanamide
CID 125059758
3-[4-chloro-3-(trifluoromethyl)anilino]-N-(oxolan-2-ylmethyl)propanamide
CID 109015962
2-[(3-chloro-2-methylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 55902296
2-(3-chloro-2-methylanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54812939
3-(4-methoxyanilino)-N-(oxolan-2-ylmethyl)propanamide
CID 109015917
3-(2-chlorophenoxy)-N-(oxolan-2-ylmethyl)propanamide
CID 51077938
3-(2-chlorophenoxy)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 94087930
3-(methylamino)-N-(oxolan-2-ylmethyl)propanamide
CID 54773627

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-2-methylanilino)-N-(oxolan-2-ylmethyl)propanamide?
The IUPAC name of 3-(3-chloro-2-methylanilino)-N-(oxolan-2-ylmethyl)propanamide (CID 109015906) is 3-(3-chloro-2-methylanilino)-N-(oxolan-2-ylmethyl)propanamide.
What is the SMILES notation for 3-(3-chloro-2-methylanilino)-N-(oxolan-2-ylmethyl)propanamide?
The canonical SMILES for 3-(3-chloro-2-methylanilino)-N-(oxolan-2-ylmethyl)propanamide is Cc1c(Cl)cccc1NCCC(=O)NCC1CCCO1.
What is the InChIKey of 3-(3-chloro-2-methylanilino)-N-(oxolan-2-ylmethyl)propanamide?
The InChIKey is HTDPNMUYLZBEFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-11-13(16)5-2-6-14(11)17-8-7-15(19)18-10-12-4-3-9-20-12/h2,5-6,12,17H,3-4,7-10H2,1H3,(H,18,19).
What are the key properties of 3-(3-chloro-2-methylanilino)-N-(oxolan-2-ylmethyl)propanamide?
3-(3-chloro-2-methylanilino)-N-(oxolan-2-ylmethyl)propanamide has a molecular weight of 296.80 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-2-methylanilino)-N-(oxolan-2-ylmethyl)propanamide is sourced from PubChem (CID 109015906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).