N-(4-chloro-2-methoxyphenyl)-N-methylnitrous amide

C8H9ClN2O2 — CID 102585028

IUPACN-(4-chloro-2-methoxyphenyl)-N-methylnitrous amide
SMILESCOc1cc(Cl)ccc1N(C)N=O
InChIInChI=1S/C8H9ClN2O2/c1-11(10-12)7-4-3-6(9)5-8(7)13-2/h3-5H,1-2H3
InChIKeyDZHDQPJUSMOEKV-UHFFFAOYSA-N
MW200.63 g/mol
LogP2.47
Rot. Bonds3

About N-(4-chloro-2-methoxyphenyl)-N-methylnitrous amide

N-(4-chloro-2-methoxyphenyl)-N-methylnitrous amide (PubChem CID 102585028) has the molecular formula C8H9ClN2O2 and a molecular weight of 200.63 g/mol. Its IUPAC name is N-(4-chloro-2-methoxyphenyl)-N-methylnitrous amide.

Molecular Properties

Compound NameN-(4-chloro-2-methoxyphenyl)-N-methylnitrous amide
PubChem CID102585028
Molecular FormulaC8H9ClN2O2
Molecular Weight200.63 g/mol
Exact Mass200.04
IUPAC NameN-(4-chloro-2-methoxyphenyl)-N-methylnitrous amide
SMILESCOc1cc(Cl)ccc1N(C)N=O
InChIInChI=1S/C8H9ClN2O2/c1-11(10-12)7-4-3-6(9)5-8(7)13-2/h3-5H,1-2H3
InChIKeyDZHDQPJUSMOEKV-UHFFFAOYSA-N
XLogP2.47
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.63
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 99635932
N'-(5-chloro-2-methoxyphenyl)-N'-methylmethanediamine
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5-chloro-N-(4-chlorophenyl)-2-methoxy-N-methylbenzenesulfonamide
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N-(5-chloro-2-methoxyphenyl)-N-methylcarbamoyl chloride
CID 115194462
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4-chloro-2-methoxy-1-methylbenzene;ethane
CID 143462337
N-(4-chloro-2-methoxyphenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 14720349
CID 175597573
CID 175597573
4-chloro-2-methoxybenzenesulfonyl chloride
CID 15725376
N-[5-chloro-2-(dimethylamino)phenyl]-3-(3,4-dimethoxyphenyl)propanamide
CID 55337257
methyl 5-chloro-2-methoxybenzenesulfonate
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(4-chloro-2-methoxyphenyl) acetate
CID 45073631

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxyphenyl)-N-methylnitrous amide?
The IUPAC name of N-(4-chloro-2-methoxyphenyl)-N-methylnitrous amide (CID 102585028) is N-(4-chloro-2-methoxyphenyl)-N-methylnitrous amide.
What is the SMILES notation for N-(4-chloro-2-methoxyphenyl)-N-methylnitrous amide?
The canonical SMILES for N-(4-chloro-2-methoxyphenyl)-N-methylnitrous amide is COc1cc(Cl)ccc1N(C)N=O.
What is the InChIKey of N-(4-chloro-2-methoxyphenyl)-N-methylnitrous amide?
The InChIKey is DZHDQPJUSMOEKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O2/c1-11(10-12)7-4-3-6(9)5-8(7)13-2/h3-5H,1-2H3.
What are the key properties of N-(4-chloro-2-methoxyphenyl)-N-methylnitrous amide?
N-(4-chloro-2-methoxyphenyl)-N-methylnitrous amide has a molecular weight of 200.63 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methoxyphenyl)-N-methylnitrous amide is sourced from PubChem (CID 102585028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).