4-amino-N-(4-chloro-3-nitrophenyl)-3-methyloxolane-3-carboxamide

C12H14ClN3O4 — CID 66250811

IUPAC4-amino-N-(4-chloro-3-nitrophenyl)-3-methyloxolane-3-carboxamide
SMILESCC1(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)COCC1N
InChIInChI=1S/C12H14ClN3O4/c1-12(6-20-5-10(12)14)11(17)15-7-2-3-8(13)9(4-7)16(18)19/h2-4,10H,5-6,14H2,1H3,(H,15,17)
InChIKeyHDTMCMGEUDVVKW-UHFFFAOYSA-N
MW299.71 g/mol
LogP1.55
Rot. Bonds3

About 4-amino-N-(4-chloro-3-nitrophenyl)-3-methyloxolane-3-carboxamide

4-amino-N-(4-chloro-3-nitrophenyl)-3-methyloxolane-3-carboxamide (PubChem CID 66250811) has the molecular formula C12H14ClN3O4 and a molecular weight of 299.71 g/mol. Its IUPAC name is 4-amino-N-(4-chloro-3-nitrophenyl)-3-methyloxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(4-chloro-3-nitrophenyl)-3-methyloxolane-3-carboxamide
PubChem CID66250811
Molecular FormulaC12H14ClN3O4
Molecular Weight299.71 g/mol
Exact Mass299.07
IUPAC Name4-amino-N-(4-chloro-3-nitrophenyl)-3-methyloxolane-3-carboxamide
SMILESCC1(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)COCC1N
InChIInChI=1S/C12H14ClN3O4/c1-12(6-20-5-10(12)14)11(17)15-7-2-3-8(13)9(4-7)16(18)19/h2-4,10H,5-6,14H2,1H3,(H,15,17)
InChIKeyHDTMCMGEUDVVKW-UHFFFAOYSA-N
XLogP1.55
TPSA107.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.71
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-(4-chloro-3-cyanophenyl)-3-methyloxolane-3-carboxamide
CID 66248652
4-amino-N-(3-bromo-4-methylphenyl)-3-methyloxolane-3-carboxamide
CID 66264602
4-amino-N-(5-bromo-2-chlorophenyl)-3-methyloxolane-3-carboxamide
CID 66263329
4-[(4-amino-3-methyloxolane-3-carbonyl)amino]-2-methoxybenzoic acid
CID 107208126
4-amino-N-(3-carbamoyl-4-fluorophenyl)-3-methyloxolane-3-carboxamide
CID 66248653
1-amino-N-(4-chloro-3-nitrophenyl)cyclobutane-1-carboxamide
CID 81178722
4-amino-N-(4-bromo-3-methoxyphenyl)-3-methyloxolane-3-carboxamide
CID 82868045
(E)-3-[4-[(4-amino-3-methyloxolane-3-carbonyl)amino]phenyl]prop-2-enoic acid
CID 115342275
1-(4-chloro-3-nitrophenyl)-3-methylurea
CID 47173770
2-amino-N-(4-chloro-3-nitrophenyl)propanamide
CID 43708462
2-amino-N-(4-chloro-3-nitrophenyl)-2-methylpropanamide
CID 61266189
3-methyl-4-(4-methyl-3-nitroanilino)oxolane-3-carboxylic acid
CID 66249715

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-chloro-3-nitrophenyl)-3-methyloxolane-3-carboxamide?
The IUPAC name of 4-amino-N-(4-chloro-3-nitrophenyl)-3-methyloxolane-3-carboxamide (CID 66250811) is 4-amino-N-(4-chloro-3-nitrophenyl)-3-methyloxolane-3-carboxamide.
What is the SMILES notation for 4-amino-N-(4-chloro-3-nitrophenyl)-3-methyloxolane-3-carboxamide?
The canonical SMILES for 4-amino-N-(4-chloro-3-nitrophenyl)-3-methyloxolane-3-carboxamide is CC1(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)COCC1N.
What is the InChIKey of 4-amino-N-(4-chloro-3-nitrophenyl)-3-methyloxolane-3-carboxamide?
The InChIKey is HDTMCMGEUDVVKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O4/c1-12(6-20-5-10(12)14)11(17)15-7-2-3-8(13)9(4-7)16(18)19/h2-4,10H,5-6,14H2,1H3,(H,15,17).
What are the key properties of 4-amino-N-(4-chloro-3-nitrophenyl)-3-methyloxolane-3-carboxamide?
4-amino-N-(4-chloro-3-nitrophenyl)-3-methyloxolane-3-carboxamide has a molecular weight of 299.71 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-chloro-3-nitrophenyl)-3-methyloxolane-3-carboxamide is sourced from PubChem (CID 66250811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).