N-[(5-chloro-2-methylphenyl)-methylcarbamoyl]formamide

C10H11ClN2O2 — CID 167269517

IUPACN-[(5-chloro-2-methylphenyl)-methylcarbamoyl]formamide
SMILESCc1ccc(Cl)cc1N(C)C(=O)NC=O
InChIInChI=1S/C10H11ClN2O2/c1-7-3-4-8(11)5-9(7)13(2)10(15)12-6-14/h3-6H,1-2H3,(H,12,14,15)
InChIKeyRCVHCJMTFMFXEB-UHFFFAOYSA-N
MW226.66 g/mol
LogP1.95
Rot. Bonds2

About N-[(5-chloro-2-methylphenyl)-methylcarbamoyl]formamide

N-[(5-chloro-2-methylphenyl)-methylcarbamoyl]formamide (PubChem CID 167269517) has the molecular formula C10H11ClN2O2 and a molecular weight of 226.66 g/mol. Its IUPAC name is N-[(5-chloro-2-methylphenyl)-methylcarbamoyl]formamide.

Molecular Properties

Compound NameN-[(5-chloro-2-methylphenyl)-methylcarbamoyl]formamide
PubChem CID167269517
Molecular FormulaC10H11ClN2O2
Molecular Weight226.66 g/mol
Exact Mass226.05
IUPAC NameN-[(5-chloro-2-methylphenyl)-methylcarbamoyl]formamide
SMILESCc1ccc(Cl)cc1N(C)C(=O)NC=O
InChIInChI=1S/C10H11ClN2O2/c1-7-3-4-8(11)5-9(7)13(2)10(15)12-6-14/h3-6H,1-2H3,(H,12,14,15)
InChIKeyRCVHCJMTFMFXEB-UHFFFAOYSA-N
XLogP1.95
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.66
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(5-chloro-2-methylphenyl)-N-methylacetamide
CID 82082325
5-chloro-N,2-dimethyl-N-prop-1-en-2-ylaniline
CID 155402625
3-amino-1-(5-chloro-2-fluorophenyl)-1-methylurea
CID 115192535
1-(5-chloro-2-methylphenyl)-3-ethyl-1-hydroxyurea
CID 88560810
1-(2-amino-5-chlorophenyl)-3-tert-butyl-1-methylurea
CID 107465986
3-(4-chloro-2-methylphenyl)-1,1-dimethylurea
CID 551912
N-(4-chloro-2-methylphenyl)-2-(dimethylamino)acetamide
CID 25250427
1-(2-amino-5-chlorophenyl)-3-(2-fluorophenyl)-1-methylurea
CID 107465953
1-(5-chloro-2-methylphenyl)-3-(5-chloro-2-pyridinyl)-1-sulfanylurea
CID 57234689
2-[(5-chloro-2-methylbenzoyl)-methylamino]benzoic acid
CID 82877765
2-(N-acetyl-5-chloro-2-methylanilino)-N-[2-(dimethylamino)ethyl]acetamide
CID 113171843
5-chloro-3-[2-(5-chloro-N,2-dimethylanilino)-2-oxoethyl]-1H-indole-2-carboxylic acid
CID 22431028

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-methylphenyl)-methylcarbamoyl]formamide?
The IUPAC name of N-[(5-chloro-2-methylphenyl)-methylcarbamoyl]formamide (CID 167269517) is N-[(5-chloro-2-methylphenyl)-methylcarbamoyl]formamide.
What is the SMILES notation for N-[(5-chloro-2-methylphenyl)-methylcarbamoyl]formamide?
The canonical SMILES for N-[(5-chloro-2-methylphenyl)-methylcarbamoyl]formamide is Cc1ccc(Cl)cc1N(C)C(=O)NC=O.
What is the InChIKey of N-[(5-chloro-2-methylphenyl)-methylcarbamoyl]formamide?
The InChIKey is RCVHCJMTFMFXEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O2/c1-7-3-4-8(11)5-9(7)13(2)10(15)12-6-14/h3-6H,1-2H3,(H,12,14,15).
What are the key properties of N-[(5-chloro-2-methylphenyl)-methylcarbamoyl]formamide?
N-[(5-chloro-2-methylphenyl)-methylcarbamoyl]formamide has a molecular weight of 226.66 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-methylphenyl)-methylcarbamoyl]formamide is sourced from PubChem (CID 167269517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).