1-(4-bromophenyl)-N-(1-thiophen-2-ylethyl)cyclopropane-1-carboxamide

C16H16BrNOS — CID 17486820

IUPAC1-(4-bromophenyl)-N-(1-thiophen-2-ylethyl)cyclopropane-1-carboxamide
SMILESCC(NC(=O)C1(c2ccc(Br)cc2)CC1)c1cccs1
InChIInChI=1S/C16H16BrNOS/c1-11(14-3-2-10-20-14)18-15(19)16(8-9-16)12-4-6-13(17)7-5-12/h2-7,10-11H,8-9H2,1H3,(H,18,19)
InChIKeyVDNFHRBPKJGFAN-UHFFFAOYSA-N
MW350.28 g/mol
LogP4.42
Rot. Bonds4

About 1-(4-bromophenyl)-N-(1-thiophen-2-ylethyl)cyclopropane-1-carboxamide

1-(4-bromophenyl)-N-(1-thiophen-2-ylethyl)cyclopropane-1-carboxamide (PubChem CID 17486820) has the molecular formula C16H16BrNOS and a molecular weight of 350.28 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-(1-thiophen-2-ylethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-(1-thiophen-2-ylethyl)cyclopropane-1-carboxamide
PubChem CID17486820
Molecular FormulaC16H16BrNOS
Molecular Weight350.28 g/mol
Exact Mass349.01
IUPAC Name1-(4-bromophenyl)-N-(1-thiophen-2-ylethyl)cyclopropane-1-carboxamide
SMILESCC(NC(=O)C1(c2ccc(Br)cc2)CC1)c1cccs1
InChIInChI=1S/C16H16BrNOS/c1-11(14-3-2-10-20-14)18-15(19)16(8-9-16)12-4-6-13(17)7-5-12/h2-7,10-11H,8-9H2,1H3,(H,18,19)
InChIKeyVDNFHRBPKJGFAN-UHFFFAOYSA-N
XLogP4.42
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.28
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[[1-(4-bromophenyl)cyclobutanecarbonyl]amino]propanoic acid
CID 119243849
2-[[1-(4-bromophenyl)cyclopropanecarbonyl]amino]-3,3-dimethylbutanoic acid
CID 43467746
4-(4-bromophenyl)-4-oxo-N-[(1S)-1-thiophen-2-ylethyl]butanamide
CID 41104492
1-(4-bromophenyl)-N-(1-ethoxypropan-2-yl)cyclopropane-1-carboxamide
CID 47901796
3-amino-N-(1-thiophen-2-ylethyl)oxolane-3-carboxamide
CID 64892097
1-(4-bromophenyl)-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]cyclopropane-1-carboxamide
CID 55520759
1-(4-bromophenyl)-N-pentan-3-ylcyclopentane-1-carboxamide
CID 46561555
1-(4-bromophenyl)-N-[1-[4-(carbamoylamino)phenyl]ethyl]cyclopentane-1-carboxamide
CID 55962698
4-bromo-2-hydroxy-N-(1-thiophen-2-ylethyl)benzamide
CID 47436073
3-ethyl-N-[(1R)-1-thiophen-2-ylethyl]pyrrolidine-3-carboxamide
CID 81409107
4-(aminomethyl)-N-(1-thiophen-2-ylethyl)oxane-4-carboxamide
CID 113310086
1-(4-bromophenyl)-N-(4-methyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide
CID 36600011

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-(1-thiophen-2-ylethyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-bromophenyl)-N-(1-thiophen-2-ylethyl)cyclopropane-1-carboxamide (CID 17486820) is 1-(4-bromophenyl)-N-(1-thiophen-2-ylethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-bromophenyl)-N-(1-thiophen-2-ylethyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-bromophenyl)-N-(1-thiophen-2-ylethyl)cyclopropane-1-carboxamide is CC(NC(=O)C1(c2ccc(Br)cc2)CC1)c1cccs1.
What is the InChIKey of 1-(4-bromophenyl)-N-(1-thiophen-2-ylethyl)cyclopropane-1-carboxamide?
The InChIKey is VDNFHRBPKJGFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNOS/c1-11(14-3-2-10-20-14)18-15(19)16(8-9-16)12-4-6-13(17)7-5-12/h2-7,10-11H,8-9H2,1H3,(H,18,19).
What are the key properties of 1-(4-bromophenyl)-N-(1-thiophen-2-ylethyl)cyclopropane-1-carboxamide?
1-(4-bromophenyl)-N-(1-thiophen-2-ylethyl)cyclopropane-1-carboxamide has a molecular weight of 350.28 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-(1-thiophen-2-ylethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 17486820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).