2-[butan-2-yl-[(2,4-dichlorophenyl)carbamoyl]amino]acetic acid

C13H16Cl2N2O3 — CID 61181038

IUPAC2-[butan-2-yl-[(2,4-dichlorophenyl)carbamoyl]amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H16Cl2N2O3/c1-3-8(2)17(7-12(18)19)13(20)16-11-5-4-9(14)6-10(11)15/h4-6,8H,3,7H2,1-2H3,(H,16,20)(H,18,19)
InChIKeySBJKNIUKWMXEFZ-UHFFFAOYSA-N
MW319.19 g/mol
LogP3.71
Rot. Bonds5

About 2-[butan-2-yl-[(2,4-dichlorophenyl)carbamoyl]amino]acetic acid

2-[butan-2-yl-[(2,4-dichlorophenyl)carbamoyl]amino]acetic acid (PubChem CID 61181038) has the molecular formula C13H16Cl2N2O3 and a molecular weight of 319.19 g/mol. Its IUPAC name is 2-[butan-2-yl-[(2,4-dichlorophenyl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[butan-2-yl-[(2,4-dichlorophenyl)carbamoyl]amino]acetic acid
PubChem CID61181038
Molecular FormulaC13H16Cl2N2O3
Molecular Weight319.19 g/mol
Exact Mass318.05
IUPAC Name2-[butan-2-yl-[(2,4-dichlorophenyl)carbamoyl]amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H16Cl2N2O3/c1-3-8(2)17(7-12(18)19)13(20)16-11-5-4-9(14)6-10(11)15/h4-6,8H,3,7H2,1-2H3,(H,16,20)(H,18,19)
InChIKeySBJKNIUKWMXEFZ-UHFFFAOYSA-N
XLogP3.71
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.19
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[butan-2-yl-[(2,4,5-trichlorophenyl)carbamoyl]amino]acetic acid
CID 61181583
2-[butan-2-yl-[(5-chloro-2-methoxyphenyl)carbamoyl]amino]acetic acid
CID 61184960
2-[butan-2-yl-[(2-chloro-5-fluorophenyl)carbamoyl]amino]acetic acid
CID 107530003
2-[butan-2-yl-[(2,4-dimethylphenyl)carbamoyl]amino]acetic acid
CID 61188375
2-[(2-bromo-5-chlorophenyl)carbamoyl-propan-2-ylamino]acetic acid
CID 81279694
3-(2,4-dichlorophenyl)-1,1-dipropylurea
CID 3499106
(2S)-N-(2,4-dichlorophenyl)-2-methylpentanamide
CID 884870
3-(2,4-dichlorophenyl)-1-ethyl-1-phenylurea
CID 108991553
N'-butan-2-yl-N-(2,4-dichlorophenyl)oxamide
CID 108502714
2-[butan-2-yl-[(4-fluorophenyl)carbamoyl]amino]acetic acid
CID 60828601
5-(2,4-dichloroanilino)-2-ethyl-5-oxopentanoic acid
CID 3527974
2-[[(2,4-dichlorophenyl)carbamoylamino]methyl]butanoic acid
CID 65219369

Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl-[(2,4-dichlorophenyl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-[butan-2-yl-[(2,4-dichlorophenyl)carbamoyl]amino]acetic acid (CID 61181038) is 2-[butan-2-yl-[(2,4-dichlorophenyl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[butan-2-yl-[(2,4-dichlorophenyl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[butan-2-yl-[(2,4-dichlorophenyl)carbamoyl]amino]acetic acid is CCC(C)N(CC(=O)O)C(=O)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[butan-2-yl-[(2,4-dichlorophenyl)carbamoyl]amino]acetic acid?
The InChIKey is SBJKNIUKWMXEFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O3/c1-3-8(2)17(7-12(18)19)13(20)16-11-5-4-9(14)6-10(11)15/h4-6,8H,3,7H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 2-[butan-2-yl-[(2,4-dichlorophenyl)carbamoyl]amino]acetic acid?
2-[butan-2-yl-[(2,4-dichlorophenyl)carbamoyl]amino]acetic acid has a molecular weight of 319.19 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl-[(2,4-dichlorophenyl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 61181038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).