3,5-dichloro-4-(morpholine-3-carbonylamino)benzoic acid

C12H12Cl2N2O4 — CID 82831092

IUPAC3,5-dichloro-4-(morpholine-3-carbonylamino)benzoic acid
SMILESO=C(O)c1cc(Cl)c(NC(=O)C2COCCN2)c(Cl)c1
InChIInChI=1S/C12H12Cl2N2O4/c13-7-3-6(12(18)19)4-8(14)10(7)16-11(17)9-5-20-2-1-15-9/h3-4,9,15H,1-2,5H2,(H,16,17)(H,18,19)
InChIKeyHUUZCDKXWKZBQK-UHFFFAOYSA-N
MW319.14 g/mol
LogP1.62
Rot. Bonds3

About 3,5-dichloro-4-(morpholine-3-carbonylamino)benzoic acid

3,5-dichloro-4-(morpholine-3-carbonylamino)benzoic acid (PubChem CID 82831092) has the molecular formula C12H12Cl2N2O4 and a molecular weight of 319.14 g/mol. Its IUPAC name is 3,5-dichloro-4-(morpholine-3-carbonylamino)benzoic acid.

Molecular Properties

Compound Name3,5-dichloro-4-(morpholine-3-carbonylamino)benzoic acid
PubChem CID82831092
Molecular FormulaC12H12Cl2N2O4
Molecular Weight319.14 g/mol
Exact Mass318.02
IUPAC Name3,5-dichloro-4-(morpholine-3-carbonylamino)benzoic acid
SMILESO=C(O)c1cc(Cl)c(NC(=O)C2COCCN2)c(Cl)c1
InChIInChI=1S/C12H12Cl2N2O4/c13-7-3-6(12(18)19)4-8(14)10(7)16-11(17)9-5-20-2-1-15-9/h3-4,9,15H,1-2,5H2,(H,16,17)(H,18,19)
InChIKeyHUUZCDKXWKZBQK-UHFFFAOYSA-N
XLogP1.62
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.14
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)morpholine-3-carboxamide;hydrochloride
CID 119697727
N-(2,6-dibromophenyl)morpholine-3-carboxamide
CID 107599564
3,5-dichloro-4-(pyrrolidine-3-carbonylamino)benzoic acid
CID 82830786
methyl 2-chloro-4-(morpholine-3-carbonylamino)benzoate
CID 119794095
N-[3-(morpholine-4-carbonyl)phenyl]morpholine-3-carboxamide
CID 119712313
N-(6-chloro-4-methyl-3-pyridinyl)morpholine-3-carboxamide
CID 113266715
N-(2-methoxy-4,6-dimethylphenyl)morpholine-3-carboxamide
CID 115177560
(3S)-N-(2-hydroxyphenyl)morpholine-3-carboxamide
CID 96998659
3,5-dichloro-4-(oxan-4-ylcarbamoylamino)benzoic acid
CID 82811187
N-(3,5-difluoro-4-iodophenyl)morpholine-3-carboxamide
CID 119764590
N-(3-carbamoylphenyl)morpholine-3-carboxamide;hydrochloride
CID 119687667
N-[3-chloro-4-(difluoromethoxy)phenyl]morpholine-3-carboxamide;hydrochloride
CID 119676727

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-(morpholine-3-carbonylamino)benzoic acid?
The IUPAC name of 3,5-dichloro-4-(morpholine-3-carbonylamino)benzoic acid (CID 82831092) is 3,5-dichloro-4-(morpholine-3-carbonylamino)benzoic acid.
What is the SMILES notation for 3,5-dichloro-4-(morpholine-3-carbonylamino)benzoic acid?
The canonical SMILES for 3,5-dichloro-4-(morpholine-3-carbonylamino)benzoic acid is O=C(O)c1cc(Cl)c(NC(=O)C2COCCN2)c(Cl)c1.
What is the InChIKey of 3,5-dichloro-4-(morpholine-3-carbonylamino)benzoic acid?
The InChIKey is HUUZCDKXWKZBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2O4/c13-7-3-6(12(18)19)4-8(14)10(7)16-11(17)9-5-20-2-1-15-9/h3-4,9,15H,1-2,5H2,(H,16,17)(H,18,19).
What are the key properties of 3,5-dichloro-4-(morpholine-3-carbonylamino)benzoic acid?
3,5-dichloro-4-(morpholine-3-carbonylamino)benzoic acid has a molecular weight of 319.14 g/mol, XLogP of 1.62, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-(morpholine-3-carbonylamino)benzoic acid is sourced from PubChem (CID 82831092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).