N-[4-(azepane-1-carbonyl)phenyl]-5-bromofuran-2-carboxamide

C18H19BrN2O3 — CID 17199012

IUPACN-[4-(azepane-1-carbonyl)phenyl]-5-bromofuran-2-carboxamide
SMILESO=C(Nc1ccc(C(=O)N2CCCCCC2)cc1)c1ccc(Br)o1
InChIInChI=1S/C18H19BrN2O3/c19-16-10-9-15(24-16)17(22)20-14-7-5-13(6-8-14)18(23)21-11-3-1-2-4-12-21/h5-10H,1-4,11-12H2,(H,20,22)
InChIKeyOSSOEWJJQIKIBT-UHFFFAOYSA-N
MW391.27 g/mol
LogP4.31
Rot. Bonds3

About N-[4-(azepane-1-carbonyl)phenyl]-5-bromofuran-2-carboxamide

N-[4-(azepane-1-carbonyl)phenyl]-5-bromofuran-2-carboxamide (PubChem CID 17199012) has the molecular formula C18H19BrN2O3 and a molecular weight of 391.27 g/mol. Its IUPAC name is N-[4-(azepane-1-carbonyl)phenyl]-5-bromofuran-2-carboxamide.

Molecular Properties

Compound NameN-[4-(azepane-1-carbonyl)phenyl]-5-bromofuran-2-carboxamide
PubChem CID17199012
Molecular FormulaC18H19BrN2O3
Molecular Weight391.27 g/mol
Exact Mass390.06
IUPAC NameN-[4-(azepane-1-carbonyl)phenyl]-5-bromofuran-2-carboxamide
SMILESO=C(Nc1ccc(C(=O)N2CCCCCC2)cc1)c1ccc(Br)o1
InChIInChI=1S/C18H19BrN2O3/c19-16-10-9-15(24-16)17(22)20-14-7-5-13(6-8-14)18(23)21-11-3-1-2-4-12-21/h5-10H,1-4,11-12H2,(H,20,22)
InChIKeyOSSOEWJJQIKIBT-UHFFFAOYSA-N
XLogP4.31
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.27
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[3-[[3-(pyrrolidine-1-carbonyl)phenyl]carbamoyl]phenyl]furan-2-carboxamide
CID 55775222
N-[4-[(3R)-3-aminopyrrolidine-1-carbonyl]phenyl]-5-bromofuran-2-carboxamide;hydrochloride
CID 119409958
5-bromo-N-[4-(4-morpholin-4-ium-4-ylpiperidine-1-carbonyl)phenyl]furan-2-carboxamide
CID 146674490
1-N,4-N-bis[4-(pyrrolidine-1-carbonyl)phenyl]benzene-1,4-dicarboxamide
CID 17196721
azepan-1-yl-(5-bromofuran-2-yl)methanone
CID 750410
N-[4-(piperidine-1-carbonyl)phenyl]furan-2-carboxamide
CID 9035306
5-bromo-N-[4-[4-(pyridin-3-ylmethyl)piperazine-1-carbonyl]phenyl]furan-2-carboxamide
CID 112834519
N-[4-(azepane-1-carbonyl)phenyl]benzamide
CID 17153241
1-[4-[(5-chlorofuran-2-carbonyl)amino]benzoyl]piperidine-4-carboxylic acid
CID 119955465
5-bromo-N-(4-hydroxyphenyl)furan-2-carboxamide
CID 973213
N-[4-(azepane-1-carbonyl)phenyl]pyridine-4-carboxamide
CID 17199064
cyclohexyl 4-[(5-bromofuran-2-carbonyl)amino]benzoate
CID 1407181

Frequently Asked Questions

What is the IUPAC name of N-[4-(azepane-1-carbonyl)phenyl]-5-bromofuran-2-carboxamide?
The IUPAC name of N-[4-(azepane-1-carbonyl)phenyl]-5-bromofuran-2-carboxamide (CID 17199012) is N-[4-(azepane-1-carbonyl)phenyl]-5-bromofuran-2-carboxamide.
What is the SMILES notation for N-[4-(azepane-1-carbonyl)phenyl]-5-bromofuran-2-carboxamide?
The canonical SMILES for N-[4-(azepane-1-carbonyl)phenyl]-5-bromofuran-2-carboxamide is O=C(Nc1ccc(C(=O)N2CCCCCC2)cc1)c1ccc(Br)o1.
What is the InChIKey of N-[4-(azepane-1-carbonyl)phenyl]-5-bromofuran-2-carboxamide?
The InChIKey is OSSOEWJJQIKIBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O3/c19-16-10-9-15(24-16)17(22)20-14-7-5-13(6-8-14)18(23)21-11-3-1-2-4-12-21/h5-10H,1-4,11-12H2,(H,20,22).
What are the key properties of N-[4-(azepane-1-carbonyl)phenyl]-5-bromofuran-2-carboxamide?
N-[4-(azepane-1-carbonyl)phenyl]-5-bromofuran-2-carboxamide has a molecular weight of 391.27 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(azepane-1-carbonyl)phenyl]-5-bromofuran-2-carboxamide is sourced from PubChem (CID 17199012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).