4-amino-3-chloro-N-(cyclopropylmethyl)-N-methyl-5-nitrobenzamide

C12H14ClN3O3 — CID 55041700

IUPAC4-amino-3-chloro-N-(cyclopropylmethyl)-N-methyl-5-nitrobenzamide
SMILESCN(CC1CC1)C(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1
InChIInChI=1S/C12H14ClN3O3/c1-15(6-7-2-3-7)12(17)8-4-9(13)11(14)10(5-8)16(18)19/h4-5,7H,2-3,6,14H2,1H3
InChIKeyVUKCWEWBNZRUEO-UHFFFAOYSA-N
MW283.72 g/mol
LogP2.31
Rot. Bonds4

About 4-amino-3-chloro-N-(cyclopropylmethyl)-N-methyl-5-nitrobenzamide

4-amino-3-chloro-N-(cyclopropylmethyl)-N-methyl-5-nitrobenzamide (PubChem CID 55041700) has the molecular formula C12H14ClN3O3 and a molecular weight of 283.72 g/mol. Its IUPAC name is 4-amino-3-chloro-N-(cyclopropylmethyl)-N-methyl-5-nitrobenzamide.

Molecular Properties

Compound Name4-amino-3-chloro-N-(cyclopropylmethyl)-N-methyl-5-nitrobenzamide
PubChem CID55041700
Molecular FormulaC12H14ClN3O3
Molecular Weight283.72 g/mol
Exact Mass283.07
IUPAC Name4-amino-3-chloro-N-(cyclopropylmethyl)-N-methyl-5-nitrobenzamide
SMILESCN(CC1CC1)C(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1
InChIInChI=1S/C12H14ClN3O3/c1-15(6-7-2-3-7)12(17)8-4-9(13)11(14)10(5-8)16(18)19/h4-5,7H,2-3,6,14H2,1H3
InChIKeyVUKCWEWBNZRUEO-UHFFFAOYSA-N
XLogP2.31
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.72
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-(cyclopropylmethyl)-N-methyl-4-(methylamino)-5-nitrobenzamide
CID 62181841
3,4-dichloro-N-(cyclobutylmethyl)-N-methyl-5-nitrobenzamide
CID 62862378
4-amino-3-chloro-N-(cyclobutylmethyl)-N-ethyl-5-nitrobenzamide
CID 107401352
4-amino-3-chloro-N-(2-hydroxypropyl)-N-methyl-5-nitrobenzamide
CID 62338016
4-amino-3-chloro-N-(2-hydroxy-2-methylpropyl)-N-methyl-5-nitrobenzamide
CID 79385580
4-amino-3-chloro-N-cyclopentyl-N-methyl-5-nitrobenzamide
CID 62154937
4-amino-3,5-dichloro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 82813179
4-amino-3-chloro-N-methyl-5-nitro-N-(thiolan-3-yl)benzamide
CID 62156139
4-amino-3-chloro-N-[2-[cyclopropyl(methyl)amino]ethyl]-5-nitrobenzamide
CID 62979445
3-amino-N-(cyclopentylmethyl)-N-methyl-4-nitrobenzamide
CID 63656778
4-bromo-N-(cyclopentylmethyl)-N-methyl-3-nitrobenzamide
CID 63632321
3-amino-N-(cyclohexylmethyl)-N-methyl-4-nitrobenzamide
CID 62681600

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-chloro-N-(cyclopropylmethyl)-N-methyl-5-nitrobenzamide?
The IUPAC name of 4-amino-3-chloro-N-(cyclopropylmethyl)-N-methyl-5-nitrobenzamide (CID 55041700) is 4-amino-3-chloro-N-(cyclopropylmethyl)-N-methyl-5-nitrobenzamide.
What is the SMILES notation for 4-amino-3-chloro-N-(cyclopropylmethyl)-N-methyl-5-nitrobenzamide?
The canonical SMILES for 4-amino-3-chloro-N-(cyclopropylmethyl)-N-methyl-5-nitrobenzamide is CN(CC1CC1)C(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1.
What is the InChIKey of 4-amino-3-chloro-N-(cyclopropylmethyl)-N-methyl-5-nitrobenzamide?
The InChIKey is VUKCWEWBNZRUEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O3/c1-15(6-7-2-3-7)12(17)8-4-9(13)11(14)10(5-8)16(18)19/h4-5,7H,2-3,6,14H2,1H3.
What are the key properties of 4-amino-3-chloro-N-(cyclopropylmethyl)-N-methyl-5-nitrobenzamide?
4-amino-3-chloro-N-(cyclopropylmethyl)-N-methyl-5-nitrobenzamide has a molecular weight of 283.72 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-chloro-N-(cyclopropylmethyl)-N-methyl-5-nitrobenzamide is sourced from PubChem (CID 55041700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).