N-[4-[[1-(4-bromophenyl)cyclopropanecarbonyl]amino]phenyl]oxolane-2-carboxamide

C21H21BrN2O3 — CID 43062523

IUPACN-[4-[[1-(4-bromophenyl)cyclopropanecarbonyl]amino]phenyl]oxolane-2-carboxamide
SMILESO=C(Nc1ccc(NC(=O)C2(c3ccc(Br)cc3)CC2)cc1)C1CCCO1
InChIInChI=1S/C21H21BrN2O3/c22-15-5-3-14(4-6-15)21(11-12-21)20(26)24-17-9-7-16(8-10-17)23-19(25)18-2-1-13-27-18/h3-10,18H,1-2,11-13H2,(H,23,25)(H,24,26)
InChIKeyKEDQKHUPYLMFLF-UHFFFAOYSA-N
MW429.31 g/mol
LogP4.24
Rot. Bonds5

About N-[4-[[1-(4-bromophenyl)cyclopropanecarbonyl]amino]phenyl]oxolane-2-carboxamide

N-[4-[[1-(4-bromophenyl)cyclopropanecarbonyl]amino]phenyl]oxolane-2-carboxamide (PubChem CID 43062523) has the molecular formula C21H21BrN2O3 and a molecular weight of 429.31 g/mol. Its IUPAC name is N-[4-[[1-(4-bromophenyl)cyclopropanecarbonyl]amino]phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[1-(4-bromophenyl)cyclopropanecarbonyl]amino]phenyl]oxolane-2-carboxamide
PubChem CID43062523
Molecular FormulaC21H21BrN2O3
Molecular Weight429.31 g/mol
Exact Mass428.07
IUPAC NameN-[4-[[1-(4-bromophenyl)cyclopropanecarbonyl]amino]phenyl]oxolane-2-carboxamide
SMILESO=C(Nc1ccc(NC(=O)C2(c3ccc(Br)cc3)CC2)cc1)C1CCCO1
InChIInChI=1S/C21H21BrN2O3/c22-15-5-3-14(4-6-15)21(11-12-21)20(26)24-17-9-7-16(8-10-17)23-19(25)18-2-1-13-27-18/h3-10,18H,1-2,11-13H2,(H,23,25)(H,24,26)
InChIKeyKEDQKHUPYLMFLF-UHFFFAOYSA-N
XLogP4.24
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.31
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[[(2R)-oxolane-2-carbonyl]amino]phenyl]cyclopropane-1-carboxylic acid
CID 104855967
N-[2-(4-bromoanilino)-2-oxoethyl]oxolane-2-carboxamide
CID 47309395
N-[4-(bromomethyl)phenyl]oxolane-2-carboxamide
CID 114310850
N-(4-bromophenyl)-1-(4-methylphenyl)cyclopropane-1-carboxamide
CID 113198290
1-(4-bromophenyl)-N-(4-methylphenyl)cyclopropane-1-carboxamide
CID 31778353
4-bromo-N-[4-[1-(oxolan-2-ylmethylcarbamoyl)cyclopropyl]phenyl]benzamide
CID 50821548
N-[4-(4-bromo-2-methylanilino)phenyl]oxolane-2-carboxamide
CID 112989098
N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]oxolane-2-carboxamide
CID 131950649
N-phenyloxolane-2-carboxamide
CID 3453643
N-(4-bromophenyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide
CID 110439174
methyl 4-[[1-(4-bromophenyl)cyclopentanecarbonyl]amino]benzoate
CID 18277869
N-(4-anilinophenyl)oxolane-2-carboxamide
CID 4690010

Frequently Asked Questions

What is the IUPAC name of N-[4-[[1-(4-bromophenyl)cyclopropanecarbonyl]amino]phenyl]oxolane-2-carboxamide?
The IUPAC name of N-[4-[[1-(4-bromophenyl)cyclopropanecarbonyl]amino]phenyl]oxolane-2-carboxamide (CID 43062523) is N-[4-[[1-(4-bromophenyl)cyclopropanecarbonyl]amino]phenyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[4-[[1-(4-bromophenyl)cyclopropanecarbonyl]amino]phenyl]oxolane-2-carboxamide?
The canonical SMILES for N-[4-[[1-(4-bromophenyl)cyclopropanecarbonyl]amino]phenyl]oxolane-2-carboxamide is O=C(Nc1ccc(NC(=O)C2(c3ccc(Br)cc3)CC2)cc1)C1CCCO1.
What is the InChIKey of N-[4-[[1-(4-bromophenyl)cyclopropanecarbonyl]amino]phenyl]oxolane-2-carboxamide?
The InChIKey is KEDQKHUPYLMFLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21BrN2O3/c22-15-5-3-14(4-6-15)21(11-12-21)20(26)24-17-9-7-16(8-10-17)23-19(25)18-2-1-13-27-18/h3-10,18H,1-2,11-13H2,(H,23,25)(H,24,26).
What are the key properties of N-[4-[[1-(4-bromophenyl)cyclopropanecarbonyl]amino]phenyl]oxolane-2-carboxamide?
N-[4-[[1-(4-bromophenyl)cyclopropanecarbonyl]amino]phenyl]oxolane-2-carboxamide has a molecular weight of 429.31 g/mol, XLogP of 4.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[1-(4-bromophenyl)cyclopropanecarbonyl]amino]phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 43062523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).