N-(3-bromo-4-fluorophenyl)-1-phenylcyclopropane-1-carboxamide

C16H13BrFNO — CID 115661448

IUPACN-(3-bromo-4-fluorophenyl)-1-phenylcyclopropane-1-carboxamide
SMILESO=C(Nc1ccc(F)c(Br)c1)C1(c2ccccc2)CC1
InChIInChI=1S/C16H13BrFNO/c17-13-10-12(6-7-14(13)18)19-15(20)16(8-9-16)11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H,19,20)
InChIKeySBUDNXYOKWSXST-UHFFFAOYSA-N
MW334.19 g/mol
LogP4.26
Rot. Bonds3

About N-(3-bromo-4-fluorophenyl)-1-phenylcyclopropane-1-carboxamide

N-(3-bromo-4-fluorophenyl)-1-phenylcyclopropane-1-carboxamide (PubChem CID 115661448) has the molecular formula C16H13BrFNO and a molecular weight of 334.19 g/mol. Its IUPAC name is N-(3-bromo-4-fluorophenyl)-1-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(3-bromo-4-fluorophenyl)-1-phenylcyclopropane-1-carboxamide
PubChem CID115661448
Molecular FormulaC16H13BrFNO
Molecular Weight334.19 g/mol
Exact Mass333.02
IUPAC NameN-(3-bromo-4-fluorophenyl)-1-phenylcyclopropane-1-carboxamide
SMILESO=C(Nc1ccc(F)c(Br)c1)C1(c2ccccc2)CC1
InChIInChI=1S/C16H13BrFNO/c17-13-10-12(6-7-14(13)18)19-15(20)16(8-9-16)11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H,19,20)
InChIKeySBUDNXYOKWSXST-UHFFFAOYSA-N
XLogP4.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.19
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 4646133
(3-bromo-4-fluorophenyl)-(1-phenylcyclopropyl)methanone
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1-phenyl-N-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
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CID 119281111
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CID 51152911
1-[(3-bromo-4-fluorophenyl)carbamoylamino]cyclopropane-1-carboxylic acid
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N-(2-fluoro-4-hydroxyphenyl)-1-phenylcyclopropane-1-carboxamide
CID 64786881
N-(3-bromo-4-fluorophenyl)adamantane-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-fluorophenyl)-1-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-(3-bromo-4-fluorophenyl)-1-phenylcyclopropane-1-carboxamide (CID 115661448) is N-(3-bromo-4-fluorophenyl)-1-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(3-bromo-4-fluorophenyl)-1-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-(3-bromo-4-fluorophenyl)-1-phenylcyclopropane-1-carboxamide is O=C(Nc1ccc(F)c(Br)c1)C1(c2ccccc2)CC1.
What is the InChIKey of N-(3-bromo-4-fluorophenyl)-1-phenylcyclopropane-1-carboxamide?
The InChIKey is SBUDNXYOKWSXST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrFNO/c17-13-10-12(6-7-14(13)18)19-15(20)16(8-9-16)11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H,19,20).
What are the key properties of N-(3-bromo-4-fluorophenyl)-1-phenylcyclopropane-1-carboxamide?
N-(3-bromo-4-fluorophenyl)-1-phenylcyclopropane-1-carboxamide has a molecular weight of 334.19 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-fluorophenyl)-1-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 115661448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).