N-(4-amino-5-chloro-2-methylphenyl)oxolane-2-carboxamide

C12H15ClN2O2 — CID 113438975

IUPACN-(4-amino-5-chloro-2-methylphenyl)oxolane-2-carboxamide
SMILESCc1cc(N)c(Cl)cc1NC(=O)C1CCCO1
InChIInChI=1S/C12H15ClN2O2/c1-7-5-9(14)8(13)6-10(7)15-12(16)11-3-2-4-17-11/h5-6,11H,2-4,14H2,1H3,(H,15,16)
InChIKeyRAKAPJFVXNOMGD-UHFFFAOYSA-N
MW254.72 g/mol
LogP2.35
Rot. Bonds2

About N-(4-amino-5-chloro-2-methylphenyl)oxolane-2-carboxamide

N-(4-amino-5-chloro-2-methylphenyl)oxolane-2-carboxamide (PubChem CID 113438975) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is N-(4-amino-5-chloro-2-methylphenyl)oxolane-2-carboxamide.

Molecular Properties

Compound NameN-(4-amino-5-chloro-2-methylphenyl)oxolane-2-carboxamide
PubChem CID113438975
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC NameN-(4-amino-5-chloro-2-methylphenyl)oxolane-2-carboxamide
SMILESCc1cc(N)c(Cl)cc1NC(=O)C1CCCO1
InChIInChI=1S/C12H15ClN2O2/c1-7-5-9(14)8(13)6-10(7)15-12(16)11-3-2-4-17-11/h5-6,11H,2-4,14H2,1H3,(H,15,16)
InChIKeyRAKAPJFVXNOMGD-UHFFFAOYSA-N
XLogP2.35
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(4-chloro-2-methylphenyl)oxolane-2-carboxamide
CID 42906730
(2R)-N-(5-bromo-2-methylphenyl)oxolane-2-carboxamide
CID 103849959
3-methyl-4-(oxolane-2-carbonylamino)benzoic acid
CID 16774236
(2R)-N-(2,5-dichlorophenyl)oxolane-2-carboxamide
CID 1086830
N-(4-amino-5-chloro-2-methylphenyl)bicyclo[3.1.0]hexane-3-carboxamide
CID 104667623
N-(4-amino-5-chloro-2-methylphenyl)-2,4,5-trimethyloxolane-3-carboxamide
CID 104667369
N-(2-chloro-5-methyl-3-pyridinyl)oxolane-2-carboxamide
CID 102979589
N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)oxolane-2-carboxamide
CID 43548175
(2S)-N-[4-methyl-2-[[(2R)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 7926588
N-(2,3-dichlorophenyl)oxolane-2-carboxamide
CID 3155144
N-(3-chloro-2-methylphenyl)oxane-2-carboxamide
CID 110859024
(2R)-N-(4-bromo-3,5-dimethylphenyl)oxolane-2-carboxamide
CID 103582033

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-5-chloro-2-methylphenyl)oxolane-2-carboxamide?
The IUPAC name of N-(4-amino-5-chloro-2-methylphenyl)oxolane-2-carboxamide (CID 113438975) is N-(4-amino-5-chloro-2-methylphenyl)oxolane-2-carboxamide.
What is the SMILES notation for N-(4-amino-5-chloro-2-methylphenyl)oxolane-2-carboxamide?
The canonical SMILES for N-(4-amino-5-chloro-2-methylphenyl)oxolane-2-carboxamide is Cc1cc(N)c(Cl)cc1NC(=O)C1CCCO1.
What is the InChIKey of N-(4-amino-5-chloro-2-methylphenyl)oxolane-2-carboxamide?
The InChIKey is RAKAPJFVXNOMGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2/c1-7-5-9(14)8(13)6-10(7)15-12(16)11-3-2-4-17-11/h5-6,11H,2-4,14H2,1H3,(H,15,16).
What are the key properties of N-(4-amino-5-chloro-2-methylphenyl)oxolane-2-carboxamide?
N-(4-amino-5-chloro-2-methylphenyl)oxolane-2-carboxamide has a molecular weight of 254.72 g/mol, XLogP of 2.35, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-5-chloro-2-methylphenyl)oxolane-2-carboxamide is sourced from PubChem (CID 113438975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).