N-(2-chloro-6-methylphenyl)-2-iodo-5-nitrobenzamide

C14H10ClIN2O3 — CID 66255521

IUPACN-(2-chloro-6-methylphenyl)-2-iodo-5-nitrobenzamide
SMILESCc1cccc(Cl)c1NC(=O)c1cc([N+](=O)[O-])ccc1I
InChIInChI=1S/C14H10ClIN2O3/c1-8-3-2-4-11(15)13(8)17-14(19)10-7-9(18(20)21)5-6-12(10)16/h2-7H,1H3,(H,17,19)
InChIKeyCIUHGDMJKSYQPN-UHFFFAOYSA-N
MW416.60 g/mol
LogP4.41
Rot. Bonds3

About N-(2-chloro-6-methylphenyl)-2-iodo-5-nitrobenzamide

N-(2-chloro-6-methylphenyl)-2-iodo-5-nitrobenzamide (PubChem CID 66255521) has the molecular formula C14H10ClIN2O3 and a molecular weight of 416.60 g/mol. Its IUPAC name is N-(2-chloro-6-methylphenyl)-2-iodo-5-nitrobenzamide.

Molecular Properties

Compound NameN-(2-chloro-6-methylphenyl)-2-iodo-5-nitrobenzamide
PubChem CID66255521
Molecular FormulaC14H10ClIN2O3
Molecular Weight416.60 g/mol
Exact Mass415.94
IUPAC NameN-(2-chloro-6-methylphenyl)-2-iodo-5-nitrobenzamide
SMILESCc1cccc(Cl)c1NC(=O)c1cc([N+](=O)[O-])ccc1I
InChIInChI=1S/C14H10ClIN2O3/c1-8-3-2-4-11(15)13(8)17-14(19)10-7-9(18(20)21)5-6-12(10)16/h2-7H,1H3,(H,17,19)
InChIKeyCIUHGDMJKSYQPN-UHFFFAOYSA-N
XLogP4.41
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.60
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', '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-[3-chloro-2-(dimethylamino)phenyl]-2-iodo-5-nitrobenzamide
CID 55762753
2-iodo-5-nitro-N-(2,4,6-trimethyl-3-pyridinyl)benzamide
CID 78874217
2-iodo-5-nitro-N-(3-nitrophenyl)benzamide
CID 38925983
2-chloro-N-(3-chloro-2-methylphenyl)-5-nitrobenzamide
CID 2323396
N-(3-acetamidophenyl)-2-iodo-5-nitrobenzamide
CID 38887087
N-(5-fluoro-2-methylphenyl)-2-iodo-5-nitrobenzamide
CID 38898747
methyl 3-[(2-iodo-5-nitrobenzoyl)amino]-2-methylbenzoate
CID 78904302
3-chloro-N-(2-methyl-5-nitrophenyl)-2-nitrobenzamide
CID 22238135
2-iodo-N-(4-methyl-3-pyridinyl)-5-nitrobenzamide
CID 63327531
N-[(2-chlorophenyl)methyl]-2-iodo-5-nitrobenzamide
CID 38898126
2-(2-chloro-6-methylanilino)-4-nitrobenzoic acid
CID 66256865
N-(2-chloro-6-methylphenyl)-4-methyl-3-nitrobenzamide
CID 711319

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-6-methylphenyl)-2-iodo-5-nitrobenzamide?
The IUPAC name of N-(2-chloro-6-methylphenyl)-2-iodo-5-nitrobenzamide (CID 66255521) is N-(2-chloro-6-methylphenyl)-2-iodo-5-nitrobenzamide.
What is the SMILES notation for N-(2-chloro-6-methylphenyl)-2-iodo-5-nitrobenzamide?
The canonical SMILES for N-(2-chloro-6-methylphenyl)-2-iodo-5-nitrobenzamide is Cc1cccc(Cl)c1NC(=O)c1cc([N+](=O)[O-])ccc1I.
What is the InChIKey of N-(2-chloro-6-methylphenyl)-2-iodo-5-nitrobenzamide?
The InChIKey is CIUHGDMJKSYQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClIN2O3/c1-8-3-2-4-11(15)13(8)17-14(19)10-7-9(18(20)21)5-6-12(10)16/h2-7H,1H3,(H,17,19).
What are the key properties of N-(2-chloro-6-methylphenyl)-2-iodo-5-nitrobenzamide?
N-(2-chloro-6-methylphenyl)-2-iodo-5-nitrobenzamide has a molecular weight of 416.60 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-6-methylphenyl)-2-iodo-5-nitrobenzamide is sourced from PubChem (CID 66255521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).