(2-chloro-5-ethylphenyl)-methylcyanamide

C10H11ClN2 — CID 10559746

IUPAC(2-chloro-5-ethylphenyl)-methylcyanamide
SMILESCCc1ccc(Cl)c(N(C)C#N)c1
InChIInChI=1S/C10H11ClN2/c1-3-8-4-5-9(11)10(6-8)13(2)7-12/h4-6H,3H2,1-2H3
InChIKeyXJZGOEZONJYVLR-UHFFFAOYSA-N
MW194.66 g/mol
LogP2.82
Rot. Bonds2

About (2-chloro-5-ethylphenyl)-methylcyanamide

(2-chloro-5-ethylphenyl)-methylcyanamide (PubChem CID 10559746) has the molecular formula C10H11ClN2 and a molecular weight of 194.66 g/mol. Its IUPAC name is (2-chloro-5-ethylphenyl)-methylcyanamide.

Molecular Properties

Compound Name(2-chloro-5-ethylphenyl)-methylcyanamide
PubChem CID10559746
Molecular FormulaC10H11ClN2
Molecular Weight194.66 g/mol
Exact Mass194.06
IUPAC Name(2-chloro-5-ethylphenyl)-methylcyanamide
SMILESCCc1ccc(Cl)c(N(C)C#N)c1
InChIInChI=1S/C10H11ClN2/c1-3-8-4-5-9(11)10(6-8)13(2)7-12/h4-6H,3H2,1-2H3
InChIKeyXJZGOEZONJYVLR-UHFFFAOYSA-N
XLogP2.82
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.66
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

(2-chloro-5-methylphenyl)-methylcyanamide
CID 10654977
1-chloro-4-ethyl-2-methylbenzene;ethane
CID 142121320
1-chloro-4-ethyl-2-fluorobenzene
CID 18711819
1-chloro-4-ethyl-2-fluorobenzene;ethane
CID 143692245
[5-(4-ethylphenyl)pyrimidin-2-yl]-methylcyanamide
CID 116977813
1-(2-chloro-5-ethylphenyl)-2-(3-iodophenyl)-1-methylguanidine
CID 18752114
2-chloro-1-(disulfanyl)-4-ethylbenzene
CID 166718430
(3,5-dichloro-2-methoxyphenyl)-methylcyanamide
CID 117043212
(3-chloro-4-methylphenyl)-methylcyanamide
CID 117029380
2-chloro-4-ethyl-1-methylbenzene;ethane;methane
CID 142172309
1,2-dichloro-4-ethylbenzene;1,3-dichloro-2-ethylbenzene;methane
CID 158320021
2-(2,7-diethylfluoren-9-ylidene)propanedinitrile
CID 89009110

Frequently Asked Questions

What is the IUPAC name of (2-chloro-5-ethylphenyl)-methylcyanamide?
The IUPAC name of (2-chloro-5-ethylphenyl)-methylcyanamide (CID 10559746) is (2-chloro-5-ethylphenyl)-methylcyanamide.
What is the SMILES notation for (2-chloro-5-ethylphenyl)-methylcyanamide?
The canonical SMILES for (2-chloro-5-ethylphenyl)-methylcyanamide is CCc1ccc(Cl)c(N(C)C#N)c1.
What is the InChIKey of (2-chloro-5-ethylphenyl)-methylcyanamide?
The InChIKey is XJZGOEZONJYVLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2/c1-3-8-4-5-9(11)10(6-8)13(2)7-12/h4-6H,3H2,1-2H3.
What are the key properties of (2-chloro-5-ethylphenyl)-methylcyanamide?
(2-chloro-5-ethylphenyl)-methylcyanamide has a molecular weight of 194.66 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-5-ethylphenyl)-methylcyanamide is sourced from PubChem (CID 10559746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).