2-(4-chloro-2-methylphenoxy)-N-(cyclopropylmethyl)propanamide

C14H18ClNO2 — CID 86921283

IUPAC2-(4-chloro-2-methylphenoxy)-N-(cyclopropylmethyl)propanamide
SMILESCc1cc(Cl)ccc1OC(C)C(=O)NCC1CC1
InChIInChI=1S/C14H18ClNO2/c1-9-7-12(15)5-6-13(9)18-10(2)14(17)16-8-11-3-4-11/h5-7,10-11H,3-4,8H2,1-2H3,(H,16,17)
InChIKeyBSPOBDPFOREZLO-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.94
Rot. Bonds5

About 2-(4-chloro-2-methylphenoxy)-N-(cyclopropylmethyl)propanamide

2-(4-chloro-2-methylphenoxy)-N-(cyclopropylmethyl)propanamide (PubChem CID 86921283) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenoxy)-N-(cyclopropylmethyl)propanamide.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenoxy)-N-(cyclopropylmethyl)propanamide
PubChem CID86921283
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Name2-(4-chloro-2-methylphenoxy)-N-(cyclopropylmethyl)propanamide
SMILESCc1cc(Cl)ccc1OC(C)C(=O)NCC1CC1
InChIInChI=1S/C14H18ClNO2/c1-9-7-12(15)5-6-13(9)18-10(2)14(17)16-8-11-3-4-11/h5-7,10-11H,3-4,8H2,1-2H3,(H,16,17)
InChIKeyBSPOBDPFOREZLO-UHFFFAOYSA-N
XLogP2.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(4-chloro-2-methylphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 725864
2-(2,4-dichlorophenoxy)-N-[(3-hydroxycyclopentyl)methyl]propanamide
CID 103280459
2-(4-chloro-2-methylphenoxy)-N-cycloheptylpropanamide
CID 2932831
2-(4-chloro-2-methylphenoxy)-N-[(4-methylphenyl)methyl]propanamide
CID 4198833
(2R)-2-(4-chloro-2-methylphenoxy)-N-[(2S)-2-phenylpropyl]propanamide
CID 8708990
(2R)-N-[(2S)-butan-2-yl]-2-(4-chloro-2-methylphenoxy)propanamide
CID 10516151
(2R)-N-carbamoyl-2-(4-chloro-2-methylphenoxy)propanamide
CID 8709006
2-(4-chloro-2-methylphenoxy)-N-(4-chloro-2-methylphenyl)propanamide
CID 2791540
(2R)-2-(4-chloro-2-methylphenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 8709012
2-(4-chloro-2-methylphenoxy)-N-[(5-chlorothiophen-2-yl)methyl]propanamide
CID 46593806
2-(4-chloro-2-methylphenoxy)-N-(2-morpholin-4-ylethyl)propanamide
CID 2931257
2-(4-chloro-2-methylphenoxy)-N-(4-hydroxybutan-2-yl)propanamide
CID 81047647

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-(cyclopropylmethyl)propanamide?
The IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-(cyclopropylmethyl)propanamide (CID 86921283) is 2-(4-chloro-2-methylphenoxy)-N-(cyclopropylmethyl)propanamide.
What is the SMILES notation for 2-(4-chloro-2-methylphenoxy)-N-(cyclopropylmethyl)propanamide?
The canonical SMILES for 2-(4-chloro-2-methylphenoxy)-N-(cyclopropylmethyl)propanamide is Cc1cc(Cl)ccc1OC(C)C(=O)NCC1CC1.
What is the InChIKey of 2-(4-chloro-2-methylphenoxy)-N-(cyclopropylmethyl)propanamide?
The InChIKey is BSPOBDPFOREZLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c1-9-7-12(15)5-6-13(9)18-10(2)14(17)16-8-11-3-4-11/h5-7,10-11H,3-4,8H2,1-2H3,(H,16,17).
What are the key properties of 2-(4-chloro-2-methylphenoxy)-N-(cyclopropylmethyl)propanamide?
2-(4-chloro-2-methylphenoxy)-N-(cyclopropylmethyl)propanamide has a molecular weight of 267.76 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylphenoxy)-N-(cyclopropylmethyl)propanamide is sourced from PubChem (CID 86921283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).