N-[4-(2-methylpropyl)phenyl]carbamoyl chloride

C11H14ClNO — CID 115194334

IUPACN-[4-(2-methylpropyl)phenyl]carbamoyl chloride
SMILESCC(C)Cc1ccc(NC(=O)Cl)cc1
InChIInChI=1S/C11H14ClNO/c1-8(2)7-9-3-5-10(6-4-9)13-11(12)14/h3-6,8H,7H2,1-2H3,(H,13,14)
InChIKeyUOFSKGBIQZGCIV-UHFFFAOYSA-N
MW211.69 g/mol
LogP3.66
Rot. Bonds3

About N-[4-(2-methylpropyl)phenyl]carbamoyl chloride

N-[4-(2-methylpropyl)phenyl]carbamoyl chloride (PubChem CID 115194334) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is N-[4-(2-methylpropyl)phenyl]carbamoyl chloride.

Molecular Properties

Compound NameN-[4-(2-methylpropyl)phenyl]carbamoyl chloride
PubChem CID115194334
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC NameN-[4-(2-methylpropyl)phenyl]carbamoyl chloride
SMILESCC(C)Cc1ccc(NC(=O)Cl)cc1
InChIInChI=1S/C11H14ClNO/c1-8(2)7-9-3-5-10(6-4-9)13-11(12)14/h3-6,8H,7H2,1-2H3,(H,13,14)
InChIKeyUOFSKGBIQZGCIV-UHFFFAOYSA-N
XLogP3.66
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.69
LogP ≤ 53.66
H-Bond Donors ≤ 51
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

[4-(2-methylpropyl)phenyl]carbamic acid
CID 115170610
[4-(2-methylpropyl)phenyl]carbamothioic S-acid
CID 115169658
methyl 2-[4-(2-methylpropyl)anilino]-2-oxoacetate
CID 115142143
3-[4-(2-methylpropyl)anilino]-3-oxopropanoic acid
CID 115163213
N,2-bis[4-(2-methylpropyl)phenyl]propanamide
CID 3436173
2-methyl-4-[4-(2-methylpropyl)anilino]-4-oxobutanoic acid
CID 115164929
3-amino-2-hydroxy-N-[4-(2-methylpropyl)phenyl]propanamide
CID 115180236
2-cyano-3-methyl-N-[4-(2-methylpropyl)phenyl]butanamide
CID 115188500
(2R)-2-[4-(2-methylpropyl)phenyl]-N-(4-propan-2-ylphenyl)propanamide
CID 7313989
2-[4-(2-methylpropyl)phenyl]-N-[4-[4-[2-[4-(2-methylpropyl)phenyl]propanoylamino]phenyl]phenyl]propanamide
CID 54781151
1-(aminomethyl)-N-[4-(2-methylpropyl)phenyl]cyclopropane-1-carboxamide
CID 115182510
2-cyano-2-methyl-N-[4-(2-methylpropyl)phenyl]propanamide
CID 115174921

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methylpropyl)phenyl]carbamoyl chloride?
The IUPAC name of N-[4-(2-methylpropyl)phenyl]carbamoyl chloride (CID 115194334) is N-[4-(2-methylpropyl)phenyl]carbamoyl chloride.
What is the SMILES notation for N-[4-(2-methylpropyl)phenyl]carbamoyl chloride?
The canonical SMILES for N-[4-(2-methylpropyl)phenyl]carbamoyl chloride is CC(C)Cc1ccc(NC(=O)Cl)cc1.
What is the InChIKey of N-[4-(2-methylpropyl)phenyl]carbamoyl chloride?
The InChIKey is UOFSKGBIQZGCIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO/c1-8(2)7-9-3-5-10(6-4-9)13-11(12)14/h3-6,8H,7H2,1-2H3,(H,13,14).
What are the key properties of N-[4-(2-methylpropyl)phenyl]carbamoyl chloride?
N-[4-(2-methylpropyl)phenyl]carbamoyl chloride has a molecular weight of 211.69 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methylpropyl)phenyl]carbamoyl chloride is sourced from PubChem (CID 115194334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).