3,5-dichloro-2-[[propan-2-yl(propyl)carbamoyl]amino]benzoic acid

C14H18Cl2N2O3 — CID 61194367

IUPAC3,5-dichloro-2-[[propan-2-yl(propyl)carbamoyl]amino]benzoic acid
SMILESCCCN(C(=O)Nc1c(Cl)cc(Cl)cc1C(=O)O)C(C)C
InChIInChI=1S/C14H18Cl2N2O3/c1-4-5-18(8(2)3)14(21)17-12-10(13(19)20)6-9(15)7-11(12)16/h6-8H,4-5H2,1-3H3,(H,17,21)(H,19,20)
InChIKeyWWRBGALGEZPNOT-UHFFFAOYSA-N
MW333.22 g/mol
LogP4.34
Rot. Bonds5

About 3,5-dichloro-2-[[propan-2-yl(propyl)carbamoyl]amino]benzoic acid

3,5-dichloro-2-[[propan-2-yl(propyl)carbamoyl]amino]benzoic acid (PubChem CID 61194367) has the molecular formula C14H18Cl2N2O3 and a molecular weight of 333.22 g/mol. Its IUPAC name is 3,5-dichloro-2-[[propan-2-yl(propyl)carbamoyl]amino]benzoic acid.

Molecular Properties

Compound Name3,5-dichloro-2-[[propan-2-yl(propyl)carbamoyl]amino]benzoic acid
PubChem CID61194367
Molecular FormulaC14H18Cl2N2O3
Molecular Weight333.22 g/mol
Exact Mass332.07
IUPAC Name3,5-dichloro-2-[[propan-2-yl(propyl)carbamoyl]amino]benzoic acid
SMILESCCCN(C(=O)Nc1c(Cl)cc(Cl)cc1C(=O)O)C(C)C
InChIInChI=1S/C14H18Cl2N2O3/c1-4-5-18(8(2)3)14(21)17-12-10(13(19)20)6-9(15)7-11(12)16/h6-8H,4-5H2,1-3H3,(H,17,21)(H,19,20)
InChIKeyWWRBGALGEZPNOT-UHFFFAOYSA-N
XLogP4.34
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.22
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dichloro-2-[[methyl(pentyl)carbamoyl]amino]benzoic acid
CID 61197209
2-fluoro-5-[[propan-2-yl(propyl)carbamoyl]amino]benzoic acid
CID 61193998
4-chloro-3-[[propan-2-yl(propyl)carbamoyl]amino]benzoic acid
CID 61196212
3,5-dichloro-2-[[1-cyclopropylethyl(methyl)carbamoyl]amino]benzoic acid
CID 61201944
2-[[(2R)-2-aminopentanoyl]amino]-3,5-dichlorobenzoic acid
CID 107569132
2-methyl-5-[[propan-2-yl(propyl)carbamoyl]amino]benzoic acid
CID 63653539
2-[(3-amino-2-methylpropanoyl)amino]-3,5-dichlorobenzoic acid
CID 62670541
3,5-dichloro-2-[[2-methyl-3-(methylamino)propanoyl]amino]benzoic acid
CID 79202526
2-[bis(prop-2-enyl)carbamoylamino]-3,5-dichlorobenzoic acid
CID 61193637
3,5-dichloro-2-(octanoylamino)benzoic acid
CID 43331454
2-[(2-amino-4-methylpentanoyl)amino]-3,5-dichlorobenzoic acid
CID 61161551
3,5-dichloro-2-(prop-2-enoylamino)benzoic acid
CID 43153770

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-2-[[propan-2-yl(propyl)carbamoyl]amino]benzoic acid?
The IUPAC name of 3,5-dichloro-2-[[propan-2-yl(propyl)carbamoyl]amino]benzoic acid (CID 61194367) is 3,5-dichloro-2-[[propan-2-yl(propyl)carbamoyl]amino]benzoic acid.
What is the SMILES notation for 3,5-dichloro-2-[[propan-2-yl(propyl)carbamoyl]amino]benzoic acid?
The canonical SMILES for 3,5-dichloro-2-[[propan-2-yl(propyl)carbamoyl]amino]benzoic acid is CCCN(C(=O)Nc1c(Cl)cc(Cl)cc1C(=O)O)C(C)C.
What is the InChIKey of 3,5-dichloro-2-[[propan-2-yl(propyl)carbamoyl]amino]benzoic acid?
The InChIKey is WWRBGALGEZPNOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O3/c1-4-5-18(8(2)3)14(21)17-12-10(13(19)20)6-9(15)7-11(12)16/h6-8H,4-5H2,1-3H3,(H,17,21)(H,19,20).
What are the key properties of 3,5-dichloro-2-[[propan-2-yl(propyl)carbamoyl]amino]benzoic acid?
3,5-dichloro-2-[[propan-2-yl(propyl)carbamoyl]amino]benzoic acid has a molecular weight of 333.22 g/mol, XLogP of 4.34, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-2-[[propan-2-yl(propyl)carbamoyl]amino]benzoic acid is sourced from PubChem (CID 61194367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).