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

C16H20Cl2N2O2 — CID 12044450

IUPACN-carbamoyl-3-cyclohexyl-2-(3,4-dichlorophenyl)propanamide
SMILESNC(=O)NC(=O)C(CC1CCCCC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H20Cl2N2O2/c17-13-7-6-11(9-14(13)18)12(15(21)20-16(19)22)8-10-4-2-1-3-5-10/h6-7,9-10,12H,1-5,8H2,(H3,19,20,21,22)
InChIKeyJMRYUUKIWGVQSW-UHFFFAOYSA-N
MW343.25 g/mol
LogP4.24
Rot. Bonds4

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

N-carbamoyl-3-cyclohexyl-2-(3,4-dichlorophenyl)propanamide (PubChem CID 12044450) has the molecular formula C16H20Cl2N2O2 and a molecular weight of 343.25 g/mol. Its IUPAC name is N-carbamoyl-3-cyclohexyl-2-(3,4-dichlorophenyl)propanamide.

Molecular Properties

Compound NameN-carbamoyl-3-cyclohexyl-2-(3,4-dichlorophenyl)propanamide
PubChem CID12044450
Molecular FormulaC16H20Cl2N2O2
Molecular Weight343.25 g/mol
Exact Mass342.09
IUPAC NameN-carbamoyl-3-cyclohexyl-2-(3,4-dichlorophenyl)propanamide
SMILESNC(=O)NC(=O)C(CC1CCCCC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H20Cl2N2O2/c17-13-7-6-11(9-14(13)18)12(15(21)20-16(19)22)8-10-4-2-1-3-5-10/h6-7,9-10,12H,1-5,8H2,(H3,19,20,21,22)
InChIKeyJMRYUUKIWGVQSW-UHFFFAOYSA-N
XLogP4.24
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.25
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-3-cyclohexyl-2-(3,4-dichlorophenyl)propanamide?
The IUPAC name of N-carbamoyl-3-cyclohexyl-2-(3,4-dichlorophenyl)propanamide (CID 12044450) is N-carbamoyl-3-cyclohexyl-2-(3,4-dichlorophenyl)propanamide.
What is the SMILES notation for N-carbamoyl-3-cyclohexyl-2-(3,4-dichlorophenyl)propanamide?
The canonical SMILES for N-carbamoyl-3-cyclohexyl-2-(3,4-dichlorophenyl)propanamide is NC(=O)NC(=O)C(CC1CCCCC1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-carbamoyl-3-cyclohexyl-2-(3,4-dichlorophenyl)propanamide?
The InChIKey is JMRYUUKIWGVQSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Cl2N2O2/c17-13-7-6-11(9-14(13)18)12(15(21)20-16(19)22)8-10-4-2-1-3-5-10/h6-7,9-10,12H,1-5,8H2,(H3,19,20,21,22).
What are the key properties of N-carbamoyl-3-cyclohexyl-2-(3,4-dichlorophenyl)propanamide?
N-carbamoyl-3-cyclohexyl-2-(3,4-dichlorophenyl)propanamide has a molecular weight of 343.25 g/mol, XLogP of 4.24, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-3-cyclohexyl-2-(3,4-dichlorophenyl)propanamide is sourced from PubChem (CID 12044450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).