N-[2-chloro-4-(1-cyclopropylethylamino)phenyl]acetamide

C13H17ClN2O — CID 43690232

IUPACN-[2-chloro-4-(1-cyclopropylethylamino)phenyl]acetamide
SMILESCC(=O)Nc1ccc(NC(C)C2CC2)cc1Cl
InChIInChI=1S/C13H17ClN2O/c1-8(10-3-4-10)15-11-5-6-13(12(14)7-11)16-9(2)17/h5-8,10,15H,3-4H2,1-2H3,(H,16,17)
InChIKeyOKZQVZBBUGKTRE-UHFFFAOYSA-N
MW252.75 g/mol
LogP3.51
Rot. Bonds4

About N-[2-chloro-4-(1-cyclopropylethylamino)phenyl]acetamide

N-[2-chloro-4-(1-cyclopropylethylamino)phenyl]acetamide (PubChem CID 43690232) has the molecular formula C13H17ClN2O and a molecular weight of 252.75 g/mol. Its IUPAC name is N-[2-chloro-4-(1-cyclopropylethylamino)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-chloro-4-(1-cyclopropylethylamino)phenyl]acetamide
PubChem CID43690232
Molecular FormulaC13H17ClN2O
Molecular Weight252.75 g/mol
Exact Mass252.10
IUPAC NameN-[2-chloro-4-(1-cyclopropylethylamino)phenyl]acetamide
SMILESCC(=O)Nc1ccc(NC(C)C2CC2)cc1Cl
InChIInChI=1S/C13H17ClN2O/c1-8(10-3-4-10)15-11-5-6-13(12(14)7-11)16-9(2)17/h5-8,10,15H,3-4H2,1-2H3,(H,16,17)
InChIKeyOKZQVZBBUGKTRE-UHFFFAOYSA-N
XLogP3.51
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.75
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-chloro-4-[1-(1-methylpiperidin-3-yl)ethylamino]phenyl]acetamide
CID 43690136
3,4-dichloro-N-(1-cyclopropylethyl)aniline
CID 43110972
3-chloro-N-(1-cyclopropylethyl)-4-propan-2-yloxyaniline
CID 43727180
N-[2-chloro-4-(oxolan-3-ylamino)phenyl]acetamide
CID 63331642
2-(4-acetamido-3-chloroanilino)-N-(1-adamantyl)propanamide
CID 42896521
2-chloro-4-[[(1R)-1-cyclopropylethyl]amino]benzonitrile
CID 93300791
N-(4-acetamido-3-chlorophenyl)-2-methylbutanamide
CID 18149192
N-[4-[(4-aminocyclohexyl)amino]-2-chlorophenyl]acetamide
CID 79723981
N-[2-chloro-4-[(4-methoxy-4-methylpentan-2-yl)amino]phenyl]acetamide
CID 43690114
N-[2-chloro-4-(nonan-2-ylamino)phenyl]acetamide
CID 43690203
4-chloro-3-(1-cyclopropylethylamino)-N-methylbenzamide
CID 43721027
(2S)-N-(4-acetamido-3-chlorophenyl)-2-amino-3-methylbutanamide;hydrochloride
CID 119276951

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-(1-cyclopropylethylamino)phenyl]acetamide?
The IUPAC name of N-[2-chloro-4-(1-cyclopropylethylamino)phenyl]acetamide (CID 43690232) is N-[2-chloro-4-(1-cyclopropylethylamino)phenyl]acetamide.
What is the SMILES notation for N-[2-chloro-4-(1-cyclopropylethylamino)phenyl]acetamide?
The canonical SMILES for N-[2-chloro-4-(1-cyclopropylethylamino)phenyl]acetamide is CC(=O)Nc1ccc(NC(C)C2CC2)cc1Cl.
What is the InChIKey of N-[2-chloro-4-(1-cyclopropylethylamino)phenyl]acetamide?
The InChIKey is OKZQVZBBUGKTRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O/c1-8(10-3-4-10)15-11-5-6-13(12(14)7-11)16-9(2)17/h5-8,10,15H,3-4H2,1-2H3,(H,16,17).
What are the key properties of N-[2-chloro-4-(1-cyclopropylethylamino)phenyl]acetamide?
N-[2-chloro-4-(1-cyclopropylethylamino)phenyl]acetamide has a molecular weight of 252.75 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-(1-cyclopropylethylamino)phenyl]acetamide is sourced from PubChem (CID 43690232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).