N-(4-chloro-2-methylphenyl)-2-[furan-2-ylmethyl-[(2-hydroxyphenyl)methyl]amino]acetamide

C21H21ClN2O3 — CID 78821266

IUPACN-(4-chloro-2-methylphenyl)-2-[furan-2-ylmethyl-[(2-hydroxyphenyl)methyl]amino]acetamide
SMILESCc1cc(Cl)ccc1NC(=O)CN(Cc1ccco1)Cc1ccccc1O
InChIInChI=1S/C21H21ClN2O3/c1-15-11-17(22)8-9-19(15)23-21(26)14-24(13-18-6-4-10-27-18)12-16-5-2-3-7-20(16)25/h2-11,25H,12-14H2,1H3,(H,23,26)
InChIKeyNDYGLKCLMYXDSI-UHFFFAOYSA-N
MW384.86 g/mol
LogP4.59
Rot. Bonds7

About N-(4-chloro-2-methylphenyl)-2-[furan-2-ylmethyl-[(2-hydroxyphenyl)methyl]amino]acetamide

N-(4-chloro-2-methylphenyl)-2-[furan-2-ylmethyl-[(2-hydroxyphenyl)methyl]amino]acetamide (PubChem CID 78821266) has the molecular formula C21H21ClN2O3 and a molecular weight of 384.86 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-2-[furan-2-ylmethyl-[(2-hydroxyphenyl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-2-[furan-2-ylmethyl-[(2-hydroxyphenyl)methyl]amino]acetamide
PubChem CID78821266
Molecular FormulaC21H21ClN2O3
Molecular Weight384.86 g/mol
Exact Mass384.12
IUPAC NameN-(4-chloro-2-methylphenyl)-2-[furan-2-ylmethyl-[(2-hydroxyphenyl)methyl]amino]acetamide
SMILESCc1cc(Cl)ccc1NC(=O)CN(Cc1ccco1)Cc1ccccc1O
InChIInChI=1S/C21H21ClN2O3/c1-15-11-17(22)8-9-19(15)23-21(26)14-24(13-18-6-4-10-27-18)12-16-5-2-3-7-20(16)25/h2-11,25H,12-14H2,1H3,(H,23,26)
InChIKeyNDYGLKCLMYXDSI-UHFFFAOYSA-N
XLogP4.59
TPSA65.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.86
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

N-(4-chloro-2-methylphenyl)-2-(furan-2-ylmethylamino)acetamide
CID 108996274
2-[bis(furan-2-ylmethyl)amino]-N-(4-chloro-2-nitrophenyl)acetamide
CID 8841188
2-[furan-2-ylmethyl-[(2-hydroxyphenyl)methyl]amino]-N-pentylacetamide
CID 78820887
N-(4-chloro-2-methylphenyl)-2-(diethylamino)acetamide;hydrochloride
CID 131885103
N-(4-chloro-2-methylphenyl)-2-(dimethylamino)acetamide
CID 25250427
2-[furan-2-ylmethyl-[(2-hydroxyphenyl)methyl]amino]-N-(4-piperidin-1-ylphenyl)acetamide
CID 78821105
2-[bis(furan-2-ylmethyl)amino]-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide
CID 24568125
(2R)-N-(2,4-dichlorophenyl)-2-[furan-2-ylmethyl(methyl)amino]propanamide
CID 9334007
2-[benzyl(methyl)amino]-N-(4-chloro-2-methylphenyl)acetamide
CID 27133915
3-[4-[[[2-(2,4-dimethylanilino)-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]phenyl]-2,2-dimethylpropanoic acid
CID 22708195
[2-(4-chloro-2-methylanilino)-2-oxoethyl]-(furan-2-ylmethyl)-(thiophen-2-ylmethyl)azanium
CID 8678016
4-N-(4-chloro-2-methylphenyl)-1-N-(furan-2-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109147825

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-2-[furan-2-ylmethyl-[(2-hydroxyphenyl)methyl]amino]acetamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-2-[furan-2-ylmethyl-[(2-hydroxyphenyl)methyl]amino]acetamide (CID 78821266) is N-(4-chloro-2-methylphenyl)-2-[furan-2-ylmethyl-[(2-hydroxyphenyl)methyl]amino]acetamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-2-[furan-2-ylmethyl-[(2-hydroxyphenyl)methyl]amino]acetamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-2-[furan-2-ylmethyl-[(2-hydroxyphenyl)methyl]amino]acetamide is Cc1cc(Cl)ccc1NC(=O)CN(Cc1ccco1)Cc1ccccc1O.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-2-[furan-2-ylmethyl-[(2-hydroxyphenyl)methyl]amino]acetamide?
The InChIKey is NDYGLKCLMYXDSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O3/c1-15-11-17(22)8-9-19(15)23-21(26)14-24(13-18-6-4-10-27-18)12-16-5-2-3-7-20(16)25/h2-11,25H,12-14H2,1H3,(H,23,26).
What are the key properties of N-(4-chloro-2-methylphenyl)-2-[furan-2-ylmethyl-[(2-hydroxyphenyl)methyl]amino]acetamide?
N-(4-chloro-2-methylphenyl)-2-[furan-2-ylmethyl-[(2-hydroxyphenyl)methyl]amino]acetamide has a molecular weight of 384.86 g/mol, XLogP of 4.59, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-2-[furan-2-ylmethyl-[(2-hydroxyphenyl)methyl]amino]acetamide is sourced from PubChem (CID 78821266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).