N-[4-[bis(3-hydroxypropyl)amino]-2-chlorophenyl]-5-chloro-2-hydroxybenzamide

C19H22Cl2N2O4 — CID 162676417

IUPACN-[4-[bis(3-hydroxypropyl)amino]-2-chlorophenyl]-5-chloro-2-hydroxybenzamide
SMILESO=C(Nc1ccc(N(CCCO)CCCO)cc1Cl)c1cc(Cl)ccc1O
InChIInChI=1S/C19H22Cl2N2O4/c20-13-3-6-18(26)15(11-13)19(27)22-17-5-4-14(12-16(17)21)23(7-1-9-24)8-2-10-25/h3-6,11-12,24-26H,1-2,7-10H2,(H,22,27)
InChIKeyAJQDPEKNKHMPTK-UHFFFAOYSA-N
MW413.30 g/mol
LogP3.52
Rot. Bonds9

About N-[4-[bis(3-hydroxypropyl)amino]-2-chlorophenyl]-5-chloro-2-hydroxybenzamide

N-[4-[bis(3-hydroxypropyl)amino]-2-chlorophenyl]-5-chloro-2-hydroxybenzamide (PubChem CID 162676417) has the molecular formula C19H22Cl2N2O4 and a molecular weight of 413.30 g/mol. Its IUPAC name is N-[4-[bis(3-hydroxypropyl)amino]-2-chlorophenyl]-5-chloro-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[4-[bis(3-hydroxypropyl)amino]-2-chlorophenyl]-5-chloro-2-hydroxybenzamide
PubChem CID162676417
Molecular FormulaC19H22Cl2N2O4
Molecular Weight413.30 g/mol
Exact Mass412.10
IUPAC NameN-[4-[bis(3-hydroxypropyl)amino]-2-chlorophenyl]-5-chloro-2-hydroxybenzamide
SMILESO=C(Nc1ccc(N(CCCO)CCCO)cc1Cl)c1cc(Cl)ccc1O
InChIInChI=1S/C19H22Cl2N2O4/c20-13-3-6-18(26)15(11-13)19(27)22-17-5-4-14(12-16(17)21)23(7-1-9-24)8-2-10-25/h3-6,11-12,24-26H,1-2,7-10H2,(H,22,27)
InChIKeyAJQDPEKNKHMPTK-UHFFFAOYSA-N
XLogP3.52
TPSA93.03 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.30
LogP ≤ 53.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-[2-chloro-4-(dimethylamino)phenyl]-2-hydroxybenzamide
CID 162658546
2-aminoethanol;5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide
CID 14992
5-chloro-N-(2-chloro-4-nitro(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)-2-hydroxybenzamide
CID 71312570
5-chloro-N-(2-fluoro-4-hydroxyphenyl)-2-hydroxybenzamide
CID 64793866
5-chloro-N-[2-chloro-4-[(1-methylcyclopentyl)-(1-methylcyclopentyl)oxyamino]phenyl]-2-hydroxybenzamide
CID 162646008
5-chloro-2-hydroxy-N-(2,3,5-trifluorophenyl)benzamide
CID 62813735
N-(2,4-dichlorophenyl)-2-[2-[(2,4-dichlorophenyl)carbamoyl]phenyl]benzamide
CID 5150334
5-chloro-2-hydroxy-N-(2-methylphenyl)benzamide
CID 970572
5-chloro-2-hydroxy-N-[4-methyl-2-(trifluoromethyl)phenyl]benzamide
CID 167603991
N-(4-amino-2-cyanophenyl)-5-chloro-2-hydroxybenzamide
CID 43548896
5-chloro-2-hydroxy-N-(3,4,5-trifluorophenyl)benzamide
CID 62812024
5-chloro-N-(3,5-dichloro-4-methylphenyl)-2-hydroxybenzamide
CID 167679776

Frequently Asked Questions

What is the IUPAC name of N-[4-[bis(3-hydroxypropyl)amino]-2-chlorophenyl]-5-chloro-2-hydroxybenzamide?
The IUPAC name of N-[4-[bis(3-hydroxypropyl)amino]-2-chlorophenyl]-5-chloro-2-hydroxybenzamide (CID 162676417) is N-[4-[bis(3-hydroxypropyl)amino]-2-chlorophenyl]-5-chloro-2-hydroxybenzamide.
What is the SMILES notation for N-[4-[bis(3-hydroxypropyl)amino]-2-chlorophenyl]-5-chloro-2-hydroxybenzamide?
The canonical SMILES for N-[4-[bis(3-hydroxypropyl)amino]-2-chlorophenyl]-5-chloro-2-hydroxybenzamide is O=C(Nc1ccc(N(CCCO)CCCO)cc1Cl)c1cc(Cl)ccc1O.
What is the InChIKey of N-[4-[bis(3-hydroxypropyl)amino]-2-chlorophenyl]-5-chloro-2-hydroxybenzamide?
The InChIKey is AJQDPEKNKHMPTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2N2O4/c20-13-3-6-18(26)15(11-13)19(27)22-17-5-4-14(12-16(17)21)23(7-1-9-24)8-2-10-25/h3-6,11-12,24-26H,1-2,7-10H2,(H,22,27).
What are the key properties of N-[4-[bis(3-hydroxypropyl)amino]-2-chlorophenyl]-5-chloro-2-hydroxybenzamide?
N-[4-[bis(3-hydroxypropyl)amino]-2-chlorophenyl]-5-chloro-2-hydroxybenzamide has a molecular weight of 413.30 g/mol, XLogP of 3.52, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[bis(3-hydroxypropyl)amino]-2-chlorophenyl]-5-chloro-2-hydroxybenzamide is sourced from PubChem (CID 162676417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).