N-[4-(4-bromo-2-methylanilino)phenyl]oxolane-2-carboxamide

C18H19BrN2O2 — CID 112989098

IUPACN-[4-(4-bromo-2-methylanilino)phenyl]oxolane-2-carboxamide
SMILESCc1cc(Br)ccc1Nc1ccc(NC(=O)C2CCCO2)cc1
InChIInChI=1S/C18H19BrN2O2/c1-12-11-13(19)4-9-16(12)20-14-5-7-15(8-6-14)21-18(22)17-3-2-10-23-17/h4-9,11,17,20H,2-3,10H2,1H3,(H,21,22)
InChIKeyYELPYGNPCGEKMB-UHFFFAOYSA-N
MW375.27 g/mol
LogP4.62
Rot. Bonds4

About N-[4-(4-bromo-2-methylanilino)phenyl]oxolane-2-carboxamide

N-[4-(4-bromo-2-methylanilino)phenyl]oxolane-2-carboxamide (PubChem CID 112989098) has the molecular formula C18H19BrN2O2 and a molecular weight of 375.27 g/mol. Its IUPAC name is N-[4-(4-bromo-2-methylanilino)phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[4-(4-bromo-2-methylanilino)phenyl]oxolane-2-carboxamide
PubChem CID112989098
Molecular FormulaC18H19BrN2O2
Molecular Weight375.27 g/mol
Exact Mass374.06
IUPAC NameN-[4-(4-bromo-2-methylanilino)phenyl]oxolane-2-carboxamide
SMILESCc1cc(Br)ccc1Nc1ccc(NC(=O)C2CCCO2)cc1
InChIInChI=1S/C18H19BrN2O2/c1-12-11-13(19)4-9-16(12)20-14-5-7-15(8-6-14)21-18(22)17-3-2-10-23-17/h4-9,11,17,20H,2-3,10H2,1H3,(H,21,22)
InChIKeyYELPYGNPCGEKMB-UHFFFAOYSA-N
XLogP4.62
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.27
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(3,5-dimethylanilino)phenyl]oxolane-2-carboxamide
CID 112986386
(2S)-N-(4-bromo-2-methylphenyl)oxetane-2-carboxamide
CID 97247026
(2R)-N-(5-bromo-2-methylphenyl)oxolane-2-carboxamide
CID 103849959
N-[4-(3,4-dimethylanilino)phenyl]oxolane-2-carboxamide
CID 112986357
(2R)-N-(4-bromo-3,5-dimethylphenyl)oxolane-2-carboxamide
CID 103582033
N-(2-acetyl-4-bromophenyl)oxolane-2-carboxamide
CID 75503576
N-[5-(2,4-dimethylanilino)-2-pyridinyl]oxolane-2-carboxamide
CID 113031947
N-[5-bromo-2-(ethylamino)phenyl]oxolane-2-carboxamide
CID 75499394
N-[3-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylcarbamoyl]phenyl]oxolane-2-carboxamide
CID 46531936
N-(4-anilinophenyl)oxolane-2-carboxamide
CID 4690010
2-methyl-5-(oxolane-2-carbonylamino)benzoic acid
CID 63652254
(2S)-N-(3,5-dimethylphenyl)oxolane-2-carboxamide
CID 7923565

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-bromo-2-methylanilino)phenyl]oxolane-2-carboxamide?
The IUPAC name of N-[4-(4-bromo-2-methylanilino)phenyl]oxolane-2-carboxamide (CID 112989098) is N-[4-(4-bromo-2-methylanilino)phenyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[4-(4-bromo-2-methylanilino)phenyl]oxolane-2-carboxamide?
The canonical SMILES for N-[4-(4-bromo-2-methylanilino)phenyl]oxolane-2-carboxamide is Cc1cc(Br)ccc1Nc1ccc(NC(=O)C2CCCO2)cc1.
What is the InChIKey of N-[4-(4-bromo-2-methylanilino)phenyl]oxolane-2-carboxamide?
The InChIKey is YELPYGNPCGEKMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O2/c1-12-11-13(19)4-9-16(12)20-14-5-7-15(8-6-14)21-18(22)17-3-2-10-23-17/h4-9,11,17,20H,2-3,10H2,1H3,(H,21,22).
What are the key properties of N-[4-(4-bromo-2-methylanilino)phenyl]oxolane-2-carboxamide?
N-[4-(4-bromo-2-methylanilino)phenyl]oxolane-2-carboxamide has a molecular weight of 375.27 g/mol, XLogP of 4.62, 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-2-methylanilino)phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 112989098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).