N-ethyl-N-(3-methylphenyl)carbamoyl chloride

C10H12ClNO — CID 79001605

IUPACN-ethyl-N-(3-methylphenyl)carbamoyl chloride
SMILESCCN(C(=O)Cl)c1cccc(C)c1
InChIInChI=1S/C10H12ClNO/c1-3-12(10(11)13)9-6-4-5-8(2)7-9/h4-7H,3H2,1-2H3
InChIKeyCLQHTDYIXCHXQZ-UHFFFAOYSA-N
MW197.66 g/mol
LogP3.18
Rot. Bonds2

About N-ethyl-N-(3-methylphenyl)carbamoyl chloride

N-ethyl-N-(3-methylphenyl)carbamoyl chloride (PubChem CID 79001605) has the molecular formula C10H12ClNO and a molecular weight of 197.66 g/mol. Its IUPAC name is N-ethyl-N-(3-methylphenyl)carbamoyl chloride.

Molecular Properties

Compound NameN-ethyl-N-(3-methylphenyl)carbamoyl chloride
PubChem CID79001605
Molecular FormulaC10H12ClNO
Molecular Weight197.66 g/mol
Exact Mass197.06
IUPAC NameN-ethyl-N-(3-methylphenyl)carbamoyl chloride
SMILESCCN(C(=O)Cl)c1cccc(C)c1
InChIInChI=1S/C10H12ClNO/c1-3-12(10(11)13)9-6-4-5-8(2)7-9/h4-7H,3H2,1-2H3
InChIKeyCLQHTDYIXCHXQZ-UHFFFAOYSA-N
XLogP3.18
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.66
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

2,2,2-trichloro-N-ethyl-N-(3-methylphenyl)acetamide
CID 533177
3-amino-N-ethyl-N-(3-methylphenyl)propanamide
CID 22692119
N-ethyl-N,2-bis(3-methylphenyl)acetamide
CID 113099036
2-(N-acetyl-3-methylanilino)-N-ethyl-N-(3-methylphenyl)acetamide
CID 113167645
2-chloro-N-[ethyl-(3-methylphenyl)carbamoyl]acetamide
CID 61103967
N-ethyl-N-(3-methylphenyl)-4-sulfanylbenzamide
CID 107023760
2-bromo-N-ethyl-N-(3-methylphenyl)butanamide
CID 25219729
1-N,1-N,4-N-triethyl-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide
CID 109048470
3-(N-ethyl-3-methylanilino)-3-oxopropane-1-sulfonyl chloride
CID 98489365
N-(3-methylphenyl)-N-methylsulfanylcarbamoyl chloride
CID 176550648
N,4-diethyl-N-(3-methylphenyl)benzamide
CID 533234
(2S)-2-amino-N-ethyl-3-methyl-N-(3-methylphenyl)butanamide
CID 22690792

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(3-methylphenyl)carbamoyl chloride?
The IUPAC name of N-ethyl-N-(3-methylphenyl)carbamoyl chloride (CID 79001605) is N-ethyl-N-(3-methylphenyl)carbamoyl chloride.
What is the SMILES notation for N-ethyl-N-(3-methylphenyl)carbamoyl chloride?
The canonical SMILES for N-ethyl-N-(3-methylphenyl)carbamoyl chloride is CCN(C(=O)Cl)c1cccc(C)c1.
What is the InChIKey of N-ethyl-N-(3-methylphenyl)carbamoyl chloride?
The InChIKey is CLQHTDYIXCHXQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO/c1-3-12(10(11)13)9-6-4-5-8(2)7-9/h4-7H,3H2,1-2H3.
What are the key properties of N-ethyl-N-(3-methylphenyl)carbamoyl chloride?
N-ethyl-N-(3-methylphenyl)carbamoyl chloride has a molecular weight of 197.66 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(3-methylphenyl)carbamoyl chloride is sourced from PubChem (CID 79001605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).