N-[2-(4-chlorophenyl)ethyl]-1-phenylcyclopropane-1-carboxamide

C18H18ClNO — CID 24684626

IUPACN-[2-(4-chlorophenyl)ethyl]-1-phenylcyclopropane-1-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)C1(c2ccccc2)CC1
InChIInChI=1S/C18H18ClNO/c19-16-8-6-14(7-9-16)10-13-20-17(21)18(11-12-18)15-4-2-1-3-5-15/h1-9H,10-13H2,(H,20,21)
InChIKeyDYSXUWYDYMFPAX-UHFFFAOYSA-N
MW299.80 g/mol
LogP3.73
Rot. Bonds5

About N-[2-(4-chlorophenyl)ethyl]-1-phenylcyclopropane-1-carboxamide

N-[2-(4-chlorophenyl)ethyl]-1-phenylcyclopropane-1-carboxamide (PubChem CID 24684626) has the molecular formula C18H18ClNO and a molecular weight of 299.80 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-1-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-1-phenylcyclopropane-1-carboxamide
PubChem CID24684626
Molecular FormulaC18H18ClNO
Molecular Weight299.80 g/mol
Exact Mass299.11
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-1-phenylcyclopropane-1-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)C1(c2ccccc2)CC1
InChIInChI=1S/C18H18ClNO/c19-16-8-6-14(7-9-16)10-13-20-17(21)18(11-12-18)15-4-2-1-3-5-15/h1-9H,10-13H2,(H,20,21)
InChIKeyDYSXUWYDYMFPAX-UHFFFAOYSA-N
XLogP3.73
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-Chloro-N-phenethylbenzamide
CID 306479
4-(4-Chlorophenyl)-2-pyrrolidinone
CID 185490
Spiro-carboxamide scaffold, 2
CID 44143288
Spiro-carboxamide scaffold, 3
CID 44143289
Spiro-carboxamide scaffold, 5
CID 44143291
Spiro-carboxamide scaffold, 6
CID 44143292
Spiro-carboxamide scaffold, 9
CID 44143295
N-[(2R)-3-(4-chlorophenyl)-1-[[4-(dimethylamino)cyclohexyl]amino]-1-oxopropan-2-yl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 53364234
N-[(2R)-1-[[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]amino]-3-(4-chlorophenyl)-1-oxopropan-2-yl]-1-(4-chlorophenyl)cyclopropane-1-carboxamide
CID 54586172
1-(4-chlorophenyl)-N-[(2R)-3-(4-chlorophenyl)-1-[[4-(dimethylamino)cyclohexyl]amino]-1-oxopropan-2-yl]cyclopropane-1-carboxamide
CID 56676958
2-(4-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 828501
2-(4-chlorophenyl)-N-cycloheptylacetamide
CID 875700

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-1-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-1-phenylcyclopropane-1-carboxamide (CID 24684626) is N-[2-(4-chlorophenyl)ethyl]-1-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-1-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-1-phenylcyclopropane-1-carboxamide is O=C(NCCc1ccc(Cl)cc1)C1(c2ccccc2)CC1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-1-phenylcyclopropane-1-carboxamide?
The InChIKey is DYSXUWYDYMFPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO/c19-16-8-6-14(7-9-16)10-13-20-17(21)18(11-12-18)15-4-2-1-3-5-15/h1-9H,10-13H2,(H,20,21).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-1-phenylcyclopropane-1-carboxamide?
N-[2-(4-chlorophenyl)ethyl]-1-phenylcyclopropane-1-carboxamide has a molecular weight of 299.80 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-1-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 24684626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).