N-[1-(3-acetamidophenyl)ethyl]-N-benzyl-2-(2-chlorophenyl)cyclopropane-1-carboxamide

C27H27ClN2O2 — CID 55504888

IUPACN-[1-(3-acetamidophenyl)ethyl]-N-benzyl-2-(2-chlorophenyl)cyclopropane-1-carboxamide
SMILESCC(=O)Nc1cccc(C(C)N(Cc2ccccc2)C(=O)C2CC2c2ccccc2Cl)c1
InChIInChI=1S/C27H27ClN2O2/c1-18(21-11-8-12-22(15-21)29-19(2)31)30(17-20-9-4-3-5-10-20)27(32)25-16-24(25)23-13-6-7-14-26(23)28/h3-15,18,24-25H,16-17H2,1-2H3,(H,29,31)
InChIKeyDBHXKBKNCKEZMX-UHFFFAOYSA-N
MW446.98 g/mol
LogP6.19
Rot. Bonds7

About N-[1-(3-acetamidophenyl)ethyl]-N-benzyl-2-(2-chlorophenyl)cyclopropane-1-carboxamide

N-[1-(3-acetamidophenyl)ethyl]-N-benzyl-2-(2-chlorophenyl)cyclopropane-1-carboxamide (PubChem CID 55504888) has the molecular formula C27H27ClN2O2 and a molecular weight of 446.98 g/mol. Its IUPAC name is N-[1-(3-acetamidophenyl)ethyl]-N-benzyl-2-(2-chlorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[1-(3-acetamidophenyl)ethyl]-N-benzyl-2-(2-chlorophenyl)cyclopropane-1-carboxamide
PubChem CID55504888
Molecular FormulaC27H27ClN2O2
Molecular Weight446.98 g/mol
Exact Mass446.18
IUPAC NameN-[1-(3-acetamidophenyl)ethyl]-N-benzyl-2-(2-chlorophenyl)cyclopropane-1-carboxamide
SMILESCC(=O)Nc1cccc(C(C)N(Cc2ccccc2)C(=O)C2CC2c2ccccc2Cl)c1
InChIInChI=1S/C27H27ClN2O2/c1-18(21-11-8-12-22(15-21)29-19(2)31)30(17-20-9-4-3-5-10-20)27(32)25-16-24(25)23-13-6-7-14-26(23)28/h3-15,18,24-25H,16-17H2,1-2H3,(H,29,31)
InChIKeyDBHXKBKNCKEZMX-UHFFFAOYSA-N
XLogP6.19
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.98
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3-acetamidophenyl)ethyl]-N-benzyl-3-methylbutanamide
CID 55505497
(E)-N-[1-(3-acetamidophenyl)ethyl]-N-benzyl-3-phenylprop-2-enamide
CID 16583449
N-[(1S)-1-(3-acetamidophenyl)ethyl]-N-benzyl-2-(2-methoxyphenyl)acetamide
CID 30126182
N-[1-(3-acetamidophenyl)ethyl]-N-benzyl-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 16611716
N-[3-[2-[1-(3-acetamidophenyl)ethyl-benzylamino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 55633083
N-[1-(3-acetamidophenyl)ethyl]-N-benzyl-3-(prop-2-enoylamino)benzamide
CID 167864313
2-(2-chlorophenyl)-N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 55550870
methyl 3-[benzyl-[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]propanoate
CID 55513092
N-[(1R)-1-(3-acetamidophenyl)ethyl]-N-benzyl-2-(2,3-dimethylphenoxy)acetamide
CID 41046714
N-[1-(3-acetamidophenyl)ethyl]-N-benzyl-3-(2-oxo-1-pyridinyl)propanamide
CID 86979589
2-(2-chlorophenyl)-N-(1-phenylethyl)cyclopropane-1-carboxamide
CID 51291710
2-[[(1S)-1-(3-acetamidophenyl)ethyl]-benzylamino]-N-prop-2-ynylacetamide
CID 51932586

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-acetamidophenyl)ethyl]-N-benzyl-2-(2-chlorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[1-(3-acetamidophenyl)ethyl]-N-benzyl-2-(2-chlorophenyl)cyclopropane-1-carboxamide (CID 55504888) is N-[1-(3-acetamidophenyl)ethyl]-N-benzyl-2-(2-chlorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[1-(3-acetamidophenyl)ethyl]-N-benzyl-2-(2-chlorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[1-(3-acetamidophenyl)ethyl]-N-benzyl-2-(2-chlorophenyl)cyclopropane-1-carboxamide is CC(=O)Nc1cccc(C(C)N(Cc2ccccc2)C(=O)C2CC2c2ccccc2Cl)c1.
What is the InChIKey of N-[1-(3-acetamidophenyl)ethyl]-N-benzyl-2-(2-chlorophenyl)cyclopropane-1-carboxamide?
The InChIKey is DBHXKBKNCKEZMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27ClN2O2/c1-18(21-11-8-12-22(15-21)29-19(2)31)30(17-20-9-4-3-5-10-20)27(32)25-16-24(25)23-13-6-7-14-26(23)28/h3-15,18,24-25H,16-17H2,1-2H3,(H,29,31).
What are the key properties of N-[1-(3-acetamidophenyl)ethyl]-N-benzyl-2-(2-chlorophenyl)cyclopropane-1-carboxamide?
N-[1-(3-acetamidophenyl)ethyl]-N-benzyl-2-(2-chlorophenyl)cyclopropane-1-carboxamide has a molecular weight of 446.98 g/mol, XLogP of 6.19, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-acetamidophenyl)ethyl]-N-benzyl-2-(2-chlorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 55504888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).