N-[(3-bromophenyl)methyl]-2-(2-chlorophenyl)cyclopropane-1-carboxamide

C17H15BrClNO — CID 55576532

IUPACN-[(3-bromophenyl)methyl]-2-(2-chlorophenyl)cyclopropane-1-carboxamide
SMILESO=C(NCc1cccc(Br)c1)C1CC1c1ccccc1Cl
InChIInChI=1S/C17H15BrClNO/c18-12-5-3-4-11(8-12)10-20-17(21)15-9-14(15)13-6-1-2-7-16(13)19/h1-8,14-15H,9-10H2,(H,20,21)
InChIKeyMLVXKNIYBKQYMK-UHFFFAOYSA-N
MW364.67 g/mol
LogP4.52
Rot. Bonds4

About N-[(3-bromophenyl)methyl]-2-(2-chlorophenyl)cyclopropane-1-carboxamide

N-[(3-bromophenyl)methyl]-2-(2-chlorophenyl)cyclopropane-1-carboxamide (PubChem CID 55576532) has the molecular formula C17H15BrClNO and a molecular weight of 364.67 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-2-(2-chlorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-2-(2-chlorophenyl)cyclopropane-1-carboxamide
PubChem CID55576532
Molecular FormulaC17H15BrClNO
Molecular Weight364.67 g/mol
Exact Mass363.00
IUPAC NameN-[(3-bromophenyl)methyl]-2-(2-chlorophenyl)cyclopropane-1-carboxamide
SMILESO=C(NCc1cccc(Br)c1)C1CC1c1ccccc1Cl
InChIInChI=1S/C17H15BrClNO/c18-12-5-3-4-11(8-12)10-20-17(21)15-9-14(15)13-6-1-2-7-16(13)19/h1-8,14-15H,9-10H2,(H,20,21)
InChIKeyMLVXKNIYBKQYMK-UHFFFAOYSA-N
XLogP4.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.67
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-benzyl-2-(2-chlorophenyl)cyclopropane-1-carboxamide
CID 51291733
2-(2-chlorophenyl)-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 55748466
N-[3-[[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]methyl]phenyl]-4-methylbenzamide
CID 55898897
2-(2-chlorophenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 51292245
2-(2-chlorophenyl)-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 55748329
cis-(1R,2S)-N-benzyl-2-(3,5-dichlorophenyl)cyclopropane-1-carboxamide
CID 96564457
N-[(3-bromophenyl)methyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 64866155
N-[(3-bromophenyl)methyl]cyclopent-3-ene-1-carboxamide
CID 64767366
2-(2-chlorophenyl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 55493076
cis-(1R,2S)-2-(2-chlorophenyl)-N-(2,3-dihydro-1,4-dioxin-5-ylmethyl)cyclopropane-1-carboxamide
CID 95781314
2-(2-chlorophenyl)-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 134009951
5-[[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]methyl]thiophene-2-carboxylic acid
CID 122110269

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-2-(2-chlorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[(3-bromophenyl)methyl]-2-(2-chlorophenyl)cyclopropane-1-carboxamide (CID 55576532) is N-[(3-bromophenyl)methyl]-2-(2-chlorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-2-(2-chlorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[(3-bromophenyl)methyl]-2-(2-chlorophenyl)cyclopropane-1-carboxamide is O=C(NCc1cccc(Br)c1)C1CC1c1ccccc1Cl.
What is the InChIKey of N-[(3-bromophenyl)methyl]-2-(2-chlorophenyl)cyclopropane-1-carboxamide?
The InChIKey is MLVXKNIYBKQYMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrClNO/c18-12-5-3-4-11(8-12)10-20-17(21)15-9-14(15)13-6-1-2-7-16(13)19/h1-8,14-15H,9-10H2,(H,20,21).
What are the key properties of N-[(3-bromophenyl)methyl]-2-(2-chlorophenyl)cyclopropane-1-carboxamide?
N-[(3-bromophenyl)methyl]-2-(2-chlorophenyl)cyclopropane-1-carboxamide has a molecular weight of 364.67 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-2-(2-chlorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 55576532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).