N-cyclopropyl-3-methyl-2-nitro-N-[(4-propan-2-ylphenyl)methyl]benzamide

C21H24N2O3 — CID 18200620

IUPACN-cyclopropyl-3-methyl-2-nitro-N-[(4-propan-2-ylphenyl)methyl]benzamide
SMILESCc1cccc(C(=O)N(Cc2ccc(C(C)C)cc2)C2CC2)c1[N+](=O)[O-]
InChIInChI=1S/C21H24N2O3/c1-14(2)17-9-7-16(8-10-17)13-22(18-11-12-18)21(24)19-6-4-5-15(3)20(19)23(25)26/h4-10,14,18H,11-13H2,1-3H3
InChIKeyFBRLDGRVAOEQDG-UHFFFAOYSA-N
MW352.43 g/mol
LogP4.83
Rot. Bonds6

About N-cyclopropyl-3-methyl-2-nitro-N-[(4-propan-2-ylphenyl)methyl]benzamide

N-cyclopropyl-3-methyl-2-nitro-N-[(4-propan-2-ylphenyl)methyl]benzamide (PubChem CID 18200620) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is N-cyclopropyl-3-methyl-2-nitro-N-[(4-propan-2-ylphenyl)methyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-methyl-2-nitro-N-[(4-propan-2-ylphenyl)methyl]benzamide
PubChem CID18200620
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC NameN-cyclopropyl-3-methyl-2-nitro-N-[(4-propan-2-ylphenyl)methyl]benzamide
SMILESCc1cccc(C(=O)N(Cc2ccc(C(C)C)cc2)C2CC2)c1[N+](=O)[O-]
InChIInChI=1S/C21H24N2O3/c1-14(2)17-9-7-16(8-10-17)13-22(18-11-12-18)21(24)19-6-4-5-15(3)20(19)23(25)26/h4-10,14,18H,11-13H2,1-3H3
InChIKeyFBRLDGRVAOEQDG-UHFFFAOYSA-N
XLogP4.83
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

N-cyclopropyl-3,4,5-trimethoxy-2-nitro-N-[(4-propan-2-ylphenyl)methyl]benzamide
CID 37007930
N-cyclopropyl-5-nitro-N-[(4-propan-2-ylphenyl)methyl]furan-2-carboxamide
CID 31784519
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3-methyl-2-nitrobenzamide
CID 55333135
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3-methyl-2-nitrobenzamide
CID 16959909
N-cyclopropyl-4-methoxy-3-nitro-N-[(4-propan-2-ylphenyl)methyl]benzamide
CID 17495591
N,N-diethyl-3-methyl-2-nitrobenzamide
CID 2186690
N-[(3S)-1,1-dioxothiolan-3-yl]-4-nitro-N-[(4-propan-2-ylphenyl)methyl]benzamide
CID 7509760
3-amino-N-cyclopropyl-N-(3-methylbutyl)-2-nitrobenzamide
CID 115548879
(2S)-2-amino-N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]propanamide;hydrochloride
CID 119273120
N-[2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-2-oxoethyl]-2-fluorobenzamide
CID 9479093
N-(2-chloro-3-methylbutyl)-3-methyl-2-nitrobenzamide
CID 113492952
N-cyclopropyl-3-methyl-4-oxo-N-[(4-propan-2-ylphenyl)methyl]phthalazine-1-carboxamide
CID 31784547

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-methyl-2-nitro-N-[(4-propan-2-ylphenyl)methyl]benzamide?
The IUPAC name of N-cyclopropyl-3-methyl-2-nitro-N-[(4-propan-2-ylphenyl)methyl]benzamide (CID 18200620) is N-cyclopropyl-3-methyl-2-nitro-N-[(4-propan-2-ylphenyl)methyl]benzamide.
What is the SMILES notation for N-cyclopropyl-3-methyl-2-nitro-N-[(4-propan-2-ylphenyl)methyl]benzamide?
The canonical SMILES for N-cyclopropyl-3-methyl-2-nitro-N-[(4-propan-2-ylphenyl)methyl]benzamide is Cc1cccc(C(=O)N(Cc2ccc(C(C)C)cc2)C2CC2)c1[N+](=O)[O-].
What is the InChIKey of N-cyclopropyl-3-methyl-2-nitro-N-[(4-propan-2-ylphenyl)methyl]benzamide?
The InChIKey is FBRLDGRVAOEQDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-14(2)17-9-7-16(8-10-17)13-22(18-11-12-18)21(24)19-6-4-5-15(3)20(19)23(25)26/h4-10,14,18H,11-13H2,1-3H3.
What are the key properties of N-cyclopropyl-3-methyl-2-nitro-N-[(4-propan-2-ylphenyl)methyl]benzamide?
N-cyclopropyl-3-methyl-2-nitro-N-[(4-propan-2-ylphenyl)methyl]benzamide has a molecular weight of 352.43 g/mol, XLogP of 4.83, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-methyl-2-nitro-N-[(4-propan-2-ylphenyl)methyl]benzamide is sourced from PubChem (CID 18200620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).