N-[4-[(4-bromo-3-methylphenyl)carbamoyl]phenyl]oxolane-2-carboxamide

C19H19BrN2O3 — CID 4084123

IUPACN-[4-[(4-bromo-3-methylphenyl)carbamoyl]phenyl]oxolane-2-carboxamide
SMILESCc1cc(NC(=O)c2ccc(NC(=O)C3CCCO3)cc2)ccc1Br
InChIInChI=1S/C19H19BrN2O3/c1-12-11-15(8-9-16(12)20)22-18(23)13-4-6-14(7-5-13)21-19(24)17-3-2-10-25-17/h4-9,11,17H,2-3,10H2,1H3,(H,21,24)(H,22,23)
InChIKeyFXRIMHMLPNSELN-UHFFFAOYSA-N
MW403.28 g/mol
LogP4.13
Rot. Bonds4

About N-[4-[(4-bromo-3-methylphenyl)carbamoyl]phenyl]oxolane-2-carboxamide

N-[4-[(4-bromo-3-methylphenyl)carbamoyl]phenyl]oxolane-2-carboxamide (PubChem CID 4084123) has the molecular formula C19H19BrN2O3 and a molecular weight of 403.28 g/mol. Its IUPAC name is N-[4-[(4-bromo-3-methylphenyl)carbamoyl]phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(4-bromo-3-methylphenyl)carbamoyl]phenyl]oxolane-2-carboxamide
PubChem CID4084123
Molecular FormulaC19H19BrN2O3
Molecular Weight403.28 g/mol
Exact Mass402.06
IUPAC NameN-[4-[(4-bromo-3-methylphenyl)carbamoyl]phenyl]oxolane-2-carboxamide
SMILESCc1cc(NC(=O)c2ccc(NC(=O)C3CCCO3)cc2)ccc1Br
InChIInChI=1S/C19H19BrN2O3/c1-12-11-15(8-9-16(12)20)22-18(23)13-4-6-14(7-5-13)21-19(24)17-3-2-10-25-17/h4-9,11,17H,2-3,10H2,1H3,(H,21,24)(H,22,23)
InChIKeyFXRIMHMLPNSELN-UHFFFAOYSA-N
XLogP4.13
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.28
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(benzylcarbamoyl)phenyl]tetrahydrofuran-2-carboxamide
CID 4916601
3-bromo-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 2944131
N-(4-bromo-3-methylphenyl)tetrahydro-2-furancarboxamide
CID 2948620
4-(Oxolan-2-ylcarbonylamino)benzamide
CID 3155148
N-[4-({[4-(diethylamino)-2-methylphenyl]amino}carbonyl)phenyl]tetrahydrofuran-2-carboxamide
CID 3242527
N-[4-[(4-ethylphenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 4198327
N-[4-[[4-(trifluoromethyl)phenyl]carbamoyl]phenyl]oxolane-2-carboxamide
CID 15994190
N-(4-{[(4-Methylphenyl)methyl]carbamoyl}phenyl)oxolane-2-carboxamide
CID 4198329
4-[(4-bromobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide
CID 3697211
N-[4-[(2-methylphenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 4198330
3-[(4-bromobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide
CID 2925305
N-[4-[(4-fluorophenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 4198335

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-bromo-3-methylphenyl)carbamoyl]phenyl]oxolane-2-carboxamide?
The IUPAC name of N-[4-[(4-bromo-3-methylphenyl)carbamoyl]phenyl]oxolane-2-carboxamide (CID 4084123) is N-[4-[(4-bromo-3-methylphenyl)carbamoyl]phenyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[4-[(4-bromo-3-methylphenyl)carbamoyl]phenyl]oxolane-2-carboxamide?
The canonical SMILES for N-[4-[(4-bromo-3-methylphenyl)carbamoyl]phenyl]oxolane-2-carboxamide is Cc1cc(NC(=O)c2ccc(NC(=O)C3CCCO3)cc2)ccc1Br.
What is the InChIKey of N-[4-[(4-bromo-3-methylphenyl)carbamoyl]phenyl]oxolane-2-carboxamide?
The InChIKey is FXRIMHMLPNSELN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN2O3/c1-12-11-15(8-9-16(12)20)22-18(23)13-4-6-14(7-5-13)21-19(24)17-3-2-10-25-17/h4-9,11,17H,2-3,10H2,1H3,(H,21,24)(H,22,23).
What are the key properties of N-[4-[(4-bromo-3-methylphenyl)carbamoyl]phenyl]oxolane-2-carboxamide?
N-[4-[(4-bromo-3-methylphenyl)carbamoyl]phenyl]oxolane-2-carboxamide has a molecular weight of 403.28 g/mol, XLogP of 4.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-bromo-3-methylphenyl)carbamoyl]phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 4084123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).