N-(4-chloro-3-nitrophenyl)-4-propan-2-yloxybenzamide

C16H15ClN2O4 — CID 3351520

IUPACN-(4-chloro-3-nitrophenyl)-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1
InChIInChI=1S/C16H15ClN2O4/c1-10(2)23-13-6-3-11(4-7-13)16(20)18-12-5-8-14(17)15(9-12)19(21)22/h3-10H,1-2H3,(H,18,20)
InChIKeyRCNMHOKQPOMJAL-UHFFFAOYSA-N
MW334.76 g/mol
LogP4.29
Rot. Bonds5

About N-(4-chloro-3-nitrophenyl)-4-propan-2-yloxybenzamide

N-(4-chloro-3-nitrophenyl)-4-propan-2-yloxybenzamide (PubChem CID 3351520) has the molecular formula C16H15ClN2O4 and a molecular weight of 334.76 g/mol. Its IUPAC name is N-(4-chloro-3-nitrophenyl)-4-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-(4-chloro-3-nitrophenyl)-4-propan-2-yloxybenzamide
PubChem CID3351520
Molecular FormulaC16H15ClN2O4
Molecular Weight334.76 g/mol
Exact Mass334.07
IUPAC NameN-(4-chloro-3-nitrophenyl)-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1
InChIInChI=1S/C16H15ClN2O4/c1-10(2)23-13-6-3-11(4-7-13)16(20)18-12-5-8-14(17)15(9-12)19(21)22/h3-10H,1-2H3,(H,18,20)
InChIKeyRCNMHOKQPOMJAL-UHFFFAOYSA-N
XLogP4.29
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.76
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

[2-(4-chloro-3-nitroanilino)-2-oxoethyl] 4-propan-2-yloxybenzoate
CID 7193525
N-(4-chloro-3-nitrophenyl)-4-iodobenzamide
CID 1340842
4-chloro-N-[4-[(4-chloro-3-nitrobenzoyl)amino]phenyl]-3-nitrobenzamide
CID 3385281
4-(chloromethyl)-N-(4-chloro-3-nitrophenyl)benzamide
CID 43346941
4-amino-3-nitro-N-(4-propan-2-yloxyphenyl)benzamide
CID 60516646
4-(aminomethyl)-N-(4-chloro-3-nitrophenyl)benzamide
CID 43708452
4-chloro-N-[4-(4-methylphenoxy)phenyl]-3-nitrobenzamide
CID 2119680
N-(3-chlorophenyl)-4-propan-2-yloxybenzamide
CID 823397
N-[4-[(4-tert-butylbenzoyl)amino]phenyl]-4-chloro-3-nitrobenzamide
CID 17111352
3-chloro-N-(4-chloro-3-nitrophenyl)-4-iodobenzamide
CID 103221361
4-chloro-2-nitro-N-(4-propan-2-yloxyphenyl)benzamide
CID 19173715
4-(difluoromethoxy)-N-(4-fluoro-3-nitrophenyl)benzamide
CID 26696939

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-nitrophenyl)-4-propan-2-yloxybenzamide?
The IUPAC name of N-(4-chloro-3-nitrophenyl)-4-propan-2-yloxybenzamide (CID 3351520) is N-(4-chloro-3-nitrophenyl)-4-propan-2-yloxybenzamide.
What is the SMILES notation for N-(4-chloro-3-nitrophenyl)-4-propan-2-yloxybenzamide?
The canonical SMILES for N-(4-chloro-3-nitrophenyl)-4-propan-2-yloxybenzamide is CC(C)Oc1ccc(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1.
What is the InChIKey of N-(4-chloro-3-nitrophenyl)-4-propan-2-yloxybenzamide?
The InChIKey is RCNMHOKQPOMJAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O4/c1-10(2)23-13-6-3-11(4-7-13)16(20)18-12-5-8-14(17)15(9-12)19(21)22/h3-10H,1-2H3,(H,18,20).
What are the key properties of N-(4-chloro-3-nitrophenyl)-4-propan-2-yloxybenzamide?
N-(4-chloro-3-nitrophenyl)-4-propan-2-yloxybenzamide has a molecular weight of 334.76 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-nitrophenyl)-4-propan-2-yloxybenzamide is sourced from PubChem (CID 3351520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).