N-[(1S)-1-(4-bromophenyl)ethyl]-2-chlorofuran-3-carboxamide

C13H11BrClNO2 — CID 106832394

IUPACN-[(1S)-1-(4-bromophenyl)ethyl]-2-chlorofuran-3-carboxamide
SMILESC[C@H](NC(=O)c1ccoc1Cl)c1ccc(Br)cc1
InChIInChI=1S/C13H11BrClNO2/c1-8(9-2-4-10(14)5-3-9)16-13(17)11-6-7-18-12(11)15/h2-8H,1H3,(H,16,17)/t8-/m0/s1
InChIKeyFYEBJBHGXYYQJP-QMMMGPOBSA-N
MW328.59 g/mol
LogP4.19
Rot. Bonds3

About N-[(1S)-1-(4-bromophenyl)ethyl]-2-chlorofuran-3-carboxamide

N-[(1S)-1-(4-bromophenyl)ethyl]-2-chlorofuran-3-carboxamide (PubChem CID 106832394) has the molecular formula C13H11BrClNO2 and a molecular weight of 328.59 g/mol. Its IUPAC name is N-[(1S)-1-(4-bromophenyl)ethyl]-2-chlorofuran-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-bromophenyl)ethyl]-2-chlorofuran-3-carboxamide
PubChem CID106832394
Molecular FormulaC13H11BrClNO2
Molecular Weight328.59 g/mol
Exact Mass326.97
IUPAC NameN-[(1S)-1-(4-bromophenyl)ethyl]-2-chlorofuran-3-carboxamide
SMILESC[C@H](NC(=O)c1ccoc1Cl)c1ccc(Br)cc1
InChIInChI=1S/C13H11BrClNO2/c1-8(9-2-4-10(14)5-3-9)16-13(17)11-6-7-18-12(11)15/h2-8H,1H3,(H,16,17)/t8-/m0/s1
InChIKeyFYEBJBHGXYYQJP-QMMMGPOBSA-N
XLogP4.19
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.59
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-chlorofuran-3-carboxamide
CID 106685734
5-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-2-chlorobenzamide
CID 107869053
N-[(1S)-1-(4-bromophenyl)ethyl]-4-chlorobenzamide
CID 7733481
2-chloro-N-[1-(3-propan-2-yloxyphenyl)ethyl]furan-3-carboxamide
CID 106685966
N-[1-(4-bromophenyl)ethyl]furan-2-carboxamide
CID 2919180
N-[(1S)-1-(4-bromophenyl)ethyl]-4-chloro-6-methylpyridine-3-carboxamide
CID 106832389
2-chloro-N-[(2S)-1-hydroxypropan-2-yl]furan-3-carboxamide
CID 106688386
N-[1-(4-bromophenyl)ethyl]-2-chloro-4-fluorobenzamide
CID 47097751
2-amino-N-[(1R)-1-(4-bromophenyl)ethyl]-3-chlorobenzamide
CID 107868800
2-[(2-chlorofuran-3-carbonyl)amino]-3-methylbutanoic acid
CID 106683293
5-bromo-N-[(1S)-1-(4-bromophenyl)ethyl]-2-methylbenzamide
CID 107868933
2-[[(1R)-1-(4-bromophenyl)ethyl]carbamoyl]benzoic acid
CID 81356390

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-bromophenyl)ethyl]-2-chlorofuran-3-carboxamide?
The IUPAC name of N-[(1S)-1-(4-bromophenyl)ethyl]-2-chlorofuran-3-carboxamide (CID 106832394) is N-[(1S)-1-(4-bromophenyl)ethyl]-2-chlorofuran-3-carboxamide.
What is the SMILES notation for N-[(1S)-1-(4-bromophenyl)ethyl]-2-chlorofuran-3-carboxamide?
The canonical SMILES for N-[(1S)-1-(4-bromophenyl)ethyl]-2-chlorofuran-3-carboxamide is C[C@H](NC(=O)c1ccoc1Cl)c1ccc(Br)cc1.
What is the InChIKey of N-[(1S)-1-(4-bromophenyl)ethyl]-2-chlorofuran-3-carboxamide?
The InChIKey is FYEBJBHGXYYQJP-QMMMGPOBSA-N. The full InChI is InChI=1S/C13H11BrClNO2/c1-8(9-2-4-10(14)5-3-9)16-13(17)11-6-7-18-12(11)15/h2-8H,1H3,(H,16,17)/t8-/m0/s1.
What are the key properties of N-[(1S)-1-(4-bromophenyl)ethyl]-2-chlorofuran-3-carboxamide?
N-[(1S)-1-(4-bromophenyl)ethyl]-2-chlorofuran-3-carboxamide has a molecular weight of 328.59 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-bromophenyl)ethyl]-2-chlorofuran-3-carboxamide is sourced from PubChem (CID 106832394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).