N-cyclopropyl-4-[(N-methyl-2,4-dinitroanilino)methyl]benzamide

C18H18N4O5 — CID 38006514

IUPACN-cyclopropyl-4-[(N-methyl-2,4-dinitroanilino)methyl]benzamide
SMILESCN(Cc1ccc(C(=O)NC2CC2)cc1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C18H18N4O5/c1-20(16-9-8-15(21(24)25)10-17(16)22(26)27)11-12-2-4-13(5-3-12)18(23)19-14-6-7-14/h2-5,8-10,14H,6-7,11H2,1H3,(H,19,23)
InChIKeyFAONJZMJZAKDGG-UHFFFAOYSA-N
MW370.37 g/mol
LogP3.03
Rot. Bonds7

About N-cyclopropyl-4-[(N-methyl-2,4-dinitroanilino)methyl]benzamide

N-cyclopropyl-4-[(N-methyl-2,4-dinitroanilino)methyl]benzamide (PubChem CID 38006514) has the molecular formula C18H18N4O5 and a molecular weight of 370.37 g/mol. Its IUPAC name is N-cyclopropyl-4-[(N-methyl-2,4-dinitroanilino)methyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[(N-methyl-2,4-dinitroanilino)methyl]benzamide
PubChem CID38006514
Molecular FormulaC18H18N4O5
Molecular Weight370.37 g/mol
Exact Mass370.13
IUPAC NameN-cyclopropyl-4-[(N-methyl-2,4-dinitroanilino)methyl]benzamide
SMILESCN(Cc1ccc(C(=O)NC2CC2)cc1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C18H18N4O5/c1-20(16-9-8-15(21(24)25)10-17(16)22(26)27)11-12-2-4-13(5-3-12)18(23)19-14-6-7-14/h2-5,8-10,14H,6-7,11H2,1H3,(H,19,23)
InChIKeyFAONJZMJZAKDGG-UHFFFAOYSA-N
XLogP3.03
TPSA118.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.37
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', '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

N-methyl-4-[(N-methyl-2,4-dinitroanilino)methyl]benzamide
CID 26448032
N-cyclopropyl-4-[methyl(pyridin-3-ylmethyl)amino]-3-nitrobenzamide
CID 78831632
3-[4-(cyclopropylcarbamoyl)-N-methyl-2-nitroanilino]propanoic acid
CID 122059583
N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N-methyl-3-nitrobenzamide
CID 38393694
2-(N-methyl-2,4-dinitroanilino)acetate
CID 7099160
N-cyclopropyl-4-[[furan-2-ylmethyl-[(4-nitrophenyl)methyl]amino]methyl]benzamide
CID 33216162
N-cyclopropyl-4-[[cyclopropyl-[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]methyl]benzamide
CID 34178930
N-cyclopropyl-4-[[methyl-(2-methyl-3-nitrophenyl)sulfonylamino]methyl]benzamide
CID 35383768
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2,4-dinitroaniline
CID 9182298
4-[methyl(pyridin-4-ylmethyl)amino]-3-nitrobenzoic acid
CID 43420429
N-cyclopropyl-2-(dimethylamino)-5-[(4-nitrobenzoyl)amino]benzamide
CID 42747482
N-cyclopropyl-4-[[cyclopropyl-[2-(4-nitrophenyl)ethylsulfonyl]amino]methyl]benzamide
CID 75384695

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[(N-methyl-2,4-dinitroanilino)methyl]benzamide?
The IUPAC name of N-cyclopropyl-4-[(N-methyl-2,4-dinitroanilino)methyl]benzamide (CID 38006514) is N-cyclopropyl-4-[(N-methyl-2,4-dinitroanilino)methyl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[(N-methyl-2,4-dinitroanilino)methyl]benzamide?
The canonical SMILES for N-cyclopropyl-4-[(N-methyl-2,4-dinitroanilino)methyl]benzamide is CN(Cc1ccc(C(=O)NC2CC2)cc1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-].
What is the InChIKey of N-cyclopropyl-4-[(N-methyl-2,4-dinitroanilino)methyl]benzamide?
The InChIKey is FAONJZMJZAKDGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O5/c1-20(16-9-8-15(21(24)25)10-17(16)22(26)27)11-12-2-4-13(5-3-12)18(23)19-14-6-7-14/h2-5,8-10,14H,6-7,11H2,1H3,(H,19,23).
What are the key properties of N-cyclopropyl-4-[(N-methyl-2,4-dinitroanilino)methyl]benzamide?
N-cyclopropyl-4-[(N-methyl-2,4-dinitroanilino)methyl]benzamide has a molecular weight of 370.37 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[(N-methyl-2,4-dinitroanilino)methyl]benzamide is sourced from PubChem (CID 38006514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).