N-(4-chloro-2-methylphenyl)-2-[cyclopropylmethyl(propyl)amino]acetamide

C16H23ClN2O — CID 78821176

IUPACN-(4-chloro-2-methylphenyl)-2-[cyclopropylmethyl(propyl)amino]acetamide
SMILESCCCN(CC(=O)Nc1ccc(Cl)cc1C)CC1CC1
InChIInChI=1S/C16H23ClN2O/c1-3-8-19(10-13-4-5-13)11-16(20)18-15-7-6-14(17)9-12(15)2/h6-7,9,13H,3-5,8,10-11H2,1-2H3,(H,18,20)
InChIKeyQAKIFRMBGORUFO-UHFFFAOYSA-N
MW294.83 g/mol
LogP3.71
Rot. Bonds7

About N-(4-chloro-2-methylphenyl)-2-[cyclopropylmethyl(propyl)amino]acetamide

N-(4-chloro-2-methylphenyl)-2-[cyclopropylmethyl(propyl)amino]acetamide (PubChem CID 78821176) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-2-[cyclopropylmethyl(propyl)amino]acetamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-2-[cyclopropylmethyl(propyl)amino]acetamide
PubChem CID78821176
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC NameN-(4-chloro-2-methylphenyl)-2-[cyclopropylmethyl(propyl)amino]acetamide
SMILESCCCN(CC(=O)Nc1ccc(Cl)cc1C)CC1CC1
InChIInChI=1S/C16H23ClN2O/c1-3-8-19(10-13-4-5-13)11-16(20)18-15-7-6-14(17)9-12(15)2/h6-7,9,13H,3-5,8,10-11H2,1-2H3,(H,18,20)
InChIKeyQAKIFRMBGORUFO-UHFFFAOYSA-N
XLogP3.71
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-amino-2-chlorophenyl)-2-[cyclopropylmethyl(propyl)amino]acetamide
CID 43588026
N-(2,4-dichlorophenyl)-2-[piperidin-4-ylmethyl(propyl)amino]acetamide
CID 119929563
N-(2,4-dichlorophenyl)-2-[piperidin-4-ylmethyl(propyl)amino]acetamide;hydrochloride
CID 119929562
2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-(cyclopropylmethyl)amino]acetic acid
CID 43656682
2-[[2-[cyclopropylmethyl(methyl)amino]-2-oxoethyl]-propylamino]-N-(2,4-dichlorophenyl)acetamide
CID 60502016
N-(4-chloro-2-methylphenyl)-2-(diethylamino)acetamide;hydrochloride
CID 131885103
N-(3-amino-4-chlorophenyl)-2-[cyclopropylmethyl(propyl)amino]acetamide
CID 43588022
N-(3-amino-4-fluorophenyl)-2-[cyclopropylmethyl(propyl)amino]acetamide
CID 43587980
2-[cyclopropylmethyl(propyl)amino]-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide
CID 86910911
N-(4-chloro-2-methylphenyl)-2-(dimethylamino)acetamide
CID 25250427
2-[[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-(cyclopropylmethyl)amino]acetic acid
CID 43656888
2-[[2-(4-chloro-2-methylanilino)-2-oxoethyl]-methylamino]-N-cyclopropylacetamide
CID 9053133

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-2-[cyclopropylmethyl(propyl)amino]acetamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-2-[cyclopropylmethyl(propyl)amino]acetamide (CID 78821176) is N-(4-chloro-2-methylphenyl)-2-[cyclopropylmethyl(propyl)amino]acetamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-2-[cyclopropylmethyl(propyl)amino]acetamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-2-[cyclopropylmethyl(propyl)amino]acetamide is CCCN(CC(=O)Nc1ccc(Cl)cc1C)CC1CC1.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-2-[cyclopropylmethyl(propyl)amino]acetamide?
The InChIKey is QAKIFRMBGORUFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O/c1-3-8-19(10-13-4-5-13)11-16(20)18-15-7-6-14(17)9-12(15)2/h6-7,9,13H,3-5,8,10-11H2,1-2H3,(H,18,20).
What are the key properties of N-(4-chloro-2-methylphenyl)-2-[cyclopropylmethyl(propyl)amino]acetamide?
N-(4-chloro-2-methylphenyl)-2-[cyclopropylmethyl(propyl)amino]acetamide has a molecular weight of 294.83 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-2-[cyclopropylmethyl(propyl)amino]acetamide is sourced from PubChem (CID 78821176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).