N-[4-[(1R)-2,2-dichlorocyclopropyl]phenyl]-4-nitrobenzamide

C16H12Cl2N2O3 — CID 1308933

IUPACN-[4-[(1R)-2,2-dichlorocyclopropyl]phenyl]-4-nitrobenzamide
SMILESO=C(Nc1ccc([C@H]2CC2(Cl)Cl)cc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H12Cl2N2O3/c17-16(18)9-14(16)10-1-5-12(6-2-10)19-15(21)11-3-7-13(8-4-11)20(22)23/h1-8,14H,9H2,(H,19,21)/t14-/m1/s1
InChIKeyLPKFAAPRMSNJJB-CQSZACIVSA-N
MW351.19 g/mol
LogP4.51
Rot. Bonds4

About N-[4-[(1R)-2,2-dichlorocyclopropyl]phenyl]-4-nitrobenzamide

N-[4-[(1R)-2,2-dichlorocyclopropyl]phenyl]-4-nitrobenzamide (PubChem CID 1308933) has the molecular formula C16H12Cl2N2O3 and a molecular weight of 351.19 g/mol. Its IUPAC name is N-[4-[(1R)-2,2-dichlorocyclopropyl]phenyl]-4-nitrobenzamide.

Molecular Properties

Compound NameN-[4-[(1R)-2,2-dichlorocyclopropyl]phenyl]-4-nitrobenzamide
PubChem CID1308933
Molecular FormulaC16H12Cl2N2O3
Molecular Weight351.19 g/mol
Exact Mass350.02
IUPAC NameN-[4-[(1R)-2,2-dichlorocyclopropyl]phenyl]-4-nitrobenzamide
SMILESO=C(Nc1ccc([C@H]2CC2(Cl)Cl)cc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H12Cl2N2O3/c17-16(18)9-14(16)10-1-5-12(6-2-10)19-15(21)11-3-7-13(8-4-11)20(22)23/h1-8,14H,9H2,(H,19,21)/t14-/m1/s1
InChIKeyLPKFAAPRMSNJJB-CQSZACIVSA-N
XLogP4.51
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.19
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', '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

4-(ethylamino)-N-(4-nitrophenyl)benzamide
CID 62165605
4-fluoro-N-[4-(4-nitrophenyl)phenyl]benzamide
CID 579434
N-(4-methoxyphenyl)-4-nitrobenzamide
CID 532159
4-(2,2-dimethylpropanoylamino)-N-(4-nitrophenyl)benzamide
CID 2866891
4-(aminomethyl)-N-(4-nitrophenyl)benzamide
CID 43426870
N,N-dimethyl-4-[(4-nitrobenzoyl)amino]benzamide
CID 4824063
potassium 4-[(4-nitrobenzoyl)amino]benzenesulfonic acid
CID 54607027
N-(3,4-dinitrophenyl)-4-nitrobenzamide
CID 5185042
N-(3-chloro-4-hydroxyphenyl)-4-nitrobenzamide
CID 4636309
N-[4-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]-4-nitrobenzamide
CID 5109198
4-fluoro-N-[4-(4-nitrophenyl)sulfonylphenyl]benzamide
CID 8922506
2-chloro-5-[(4-nitrobenzoyl)amino]benzoate
CID 7473349

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1R)-2,2-dichlorocyclopropyl]phenyl]-4-nitrobenzamide?
The IUPAC name of N-[4-[(1R)-2,2-dichlorocyclopropyl]phenyl]-4-nitrobenzamide (CID 1308933) is N-[4-[(1R)-2,2-dichlorocyclopropyl]phenyl]-4-nitrobenzamide.
What is the SMILES notation for N-[4-[(1R)-2,2-dichlorocyclopropyl]phenyl]-4-nitrobenzamide?
The canonical SMILES for N-[4-[(1R)-2,2-dichlorocyclopropyl]phenyl]-4-nitrobenzamide is O=C(Nc1ccc([C@H]2CC2(Cl)Cl)cc1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-[4-[(1R)-2,2-dichlorocyclopropyl]phenyl]-4-nitrobenzamide?
The InChIKey is LPKFAAPRMSNJJB-CQSZACIVSA-N. The full InChI is InChI=1S/C16H12Cl2N2O3/c17-16(18)9-14(16)10-1-5-12(6-2-10)19-15(21)11-3-7-13(8-4-11)20(22)23/h1-8,14H,9H2,(H,19,21)/t14-/m1/s1.
What are the key properties of N-[4-[(1R)-2,2-dichlorocyclopropyl]phenyl]-4-nitrobenzamide?
N-[4-[(1R)-2,2-dichlorocyclopropyl]phenyl]-4-nitrobenzamide has a molecular weight of 351.19 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1R)-2,2-dichlorocyclopropyl]phenyl]-4-nitrobenzamide is sourced from PubChem (CID 1308933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).