N-carbamoyl-3-cyclopropyl-2-(3,4-dichlorophenyl)propanamide

C13H14Cl2N2O2 — CID 18626628

IUPACN-carbamoyl-3-cyclopropyl-2-(3,4-dichlorophenyl)propanamide
SMILESNC(=O)NC(=O)C(CC1CC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H14Cl2N2O2/c14-10-4-3-8(6-11(10)15)9(5-7-1-2-7)12(18)17-13(16)19/h3-4,6-7,9H,1-2,5H2,(H3,16,17,18,19)
InChIKeyNKJGISOTZHOWHH-UHFFFAOYSA-N
MW301.17 g/mol
LogP3.07
Rot. Bonds4

About N-carbamoyl-3-cyclopropyl-2-(3,4-dichlorophenyl)propanamide

N-carbamoyl-3-cyclopropyl-2-(3,4-dichlorophenyl)propanamide (PubChem CID 18626628) has the molecular formula C13H14Cl2N2O2 and a molecular weight of 301.17 g/mol. Its IUPAC name is N-carbamoyl-3-cyclopropyl-2-(3,4-dichlorophenyl)propanamide.

Molecular Properties

Compound NameN-carbamoyl-3-cyclopropyl-2-(3,4-dichlorophenyl)propanamide
PubChem CID18626628
Molecular FormulaC13H14Cl2N2O2
Molecular Weight301.17 g/mol
Exact Mass300.04
IUPAC NameN-carbamoyl-3-cyclopropyl-2-(3,4-dichlorophenyl)propanamide
SMILESNC(=O)NC(=O)C(CC1CC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H14Cl2N2O2/c14-10-4-3-8(6-11(10)15)9(5-7-1-2-7)12(18)17-13(16)19/h3-4,6-7,9H,1-2,5H2,(H3,16,17,18,19)
InChIKeyNKJGISOTZHOWHH-UHFFFAOYSA-N
XLogP3.07
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.17
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-[[3-cyclopentyl-2-(3,4-dichlorophenyl)propanoyl]carbamoylamino]propanoate
CID 151469580
3-cyclopentyl-2-(3,4-dichlorophenyl)-N-(methylcarbamothioyl)propanamide
CID 46223569
methyl 3-cycloheptyl-2-(3,4-dichlorophenyl)propanoate
CID 46221151
3-cyclopentyl-2-(3,4-dichlorophenyl)-N-(1,2,4-triazin-3-yl)propanamide;methane
CID 161265975
3-cyclohexyl-2-(3,4-dichlorophenyl)-N-(1,3-thiazol-2-yl)propanamide
CID 142018521
methyl 2-(3,4-dichlorophenyl)-4-oxobutanoate
CID 59856539
2-(3,4-dichlorophenyl)-3-(3-hydroxycyclopentyl)-N-(1,3-thiazol-2-yl)propanamide
CID 10000139
3-cyclopentyl-2-(3,4-dichlorophenyl)-N-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]propanamide
CID 67189739
4-[1-(3,4-dichlorophenyl)propylamino]cyclohexane-1-carboxamide
CID 43791661
2-(cyclopropylmethylamino)-2-(3,4-dichlorophenyl)acetic acid
CID 54894927
3-cyclopropyl-2-[3-(cyclopropylmethoxy)-4-(3,4-dichlorophenyl)phenyl]propanoic acid
CID 66940755
2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-pyrimidin-2-ylpropanamide
CID 22315196

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-3-cyclopropyl-2-(3,4-dichlorophenyl)propanamide?
The IUPAC name of N-carbamoyl-3-cyclopropyl-2-(3,4-dichlorophenyl)propanamide (CID 18626628) is N-carbamoyl-3-cyclopropyl-2-(3,4-dichlorophenyl)propanamide.
What is the SMILES notation for N-carbamoyl-3-cyclopropyl-2-(3,4-dichlorophenyl)propanamide?
The canonical SMILES for N-carbamoyl-3-cyclopropyl-2-(3,4-dichlorophenyl)propanamide is NC(=O)NC(=O)C(CC1CC1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-carbamoyl-3-cyclopropyl-2-(3,4-dichlorophenyl)propanamide?
The InChIKey is NKJGISOTZHOWHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2O2/c14-10-4-3-8(6-11(10)15)9(5-7-1-2-7)12(18)17-13(16)19/h3-4,6-7,9H,1-2,5H2,(H3,16,17,18,19).
What are the key properties of N-carbamoyl-3-cyclopropyl-2-(3,4-dichlorophenyl)propanamide?
N-carbamoyl-3-cyclopropyl-2-(3,4-dichlorophenyl)propanamide has a molecular weight of 301.17 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-3-cyclopropyl-2-(3,4-dichlorophenyl)propanamide is sourced from PubChem (CID 18626628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).