N-[4-chloro-3-[(4-hydroxyphenyl)methylamino]phenyl]propanamide

C16H17ClN2O2 — CID 43679042

IUPACN-[4-chloro-3-[(4-hydroxyphenyl)methylamino]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(Cl)c(NCc2ccc(O)cc2)c1
InChIInChI=1S/C16H17ClN2O2/c1-2-16(21)19-12-5-8-14(17)15(9-12)18-10-11-3-6-13(20)7-4-11/h3-9,18,20H,2,10H2,1H3,(H,19,21)
InChIKeyLUIYIQJWVNOWAY-UHFFFAOYSA-N
MW304.78 g/mol
LogP4.01
Rot. Bonds5

About N-[4-chloro-3-[(4-hydroxyphenyl)methylamino]phenyl]propanamide

N-[4-chloro-3-[(4-hydroxyphenyl)methylamino]phenyl]propanamide (PubChem CID 43679042) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is N-[4-chloro-3-[(4-hydroxyphenyl)methylamino]phenyl]propanamide.

Molecular Properties

Compound NameN-[4-chloro-3-[(4-hydroxyphenyl)methylamino]phenyl]propanamide
PubChem CID43679042
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC NameN-[4-chloro-3-[(4-hydroxyphenyl)methylamino]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(Cl)c(NCc2ccc(O)cc2)c1
InChIInChI=1S/C16H17ClN2O2/c1-2-16(21)19-12-5-8-14(17)15(9-12)18-10-11-3-6-13(20)7-4-11/h3-9,18,20H,2,10H2,1H3,(H,19,21)
InChIKeyLUIYIQJWVNOWAY-UHFFFAOYSA-N
XLogP4.01
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 54.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-chloro-3-[(4-chlorothiophen-2-yl)methylamino]phenyl]propanamide
CID 79420664
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N-[4-chloro-3-(pyridin-2-ylmethylamino)phenyl]propanamide
CID 43679078
N-[3-[(3-bromofuran-2-yl)methylamino]-4-chlorophenyl]propanamide
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N-[2-chloro-5-(propanoylamino)phenyl]-4-ethylbenzamide
CID 2995153
N-[4-chloro-3-[[2-(4-ethylphenoxy)acetyl]amino]phenyl]propanamide
CID 1313538
3-amino-N-[2-chloro-5-(propanoylamino)phenyl]propanamide
CID 43701444
4-[(2,4,5-trichloroanilino)methyl]phenol
CID 28536282
N-(4-chloro-3-hydroxyphenyl)-2-(4-hydroxyphenyl)acetamide
CID 64788064
N-[4-chloro-3-(cyclopentylamino)phenyl]propanamide
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N-[3-[(2-chlorophenyl)methylamino]-4-methylphenyl]propanamide
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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-[(4-hydroxyphenyl)methylamino]phenyl]propanamide?
The IUPAC name of N-[4-chloro-3-[(4-hydroxyphenyl)methylamino]phenyl]propanamide (CID 43679042) is N-[4-chloro-3-[(4-hydroxyphenyl)methylamino]phenyl]propanamide.
What is the SMILES notation for N-[4-chloro-3-[(4-hydroxyphenyl)methylamino]phenyl]propanamide?
The canonical SMILES for N-[4-chloro-3-[(4-hydroxyphenyl)methylamino]phenyl]propanamide is CCC(=O)Nc1ccc(Cl)c(NCc2ccc(O)cc2)c1.
What is the InChIKey of N-[4-chloro-3-[(4-hydroxyphenyl)methylamino]phenyl]propanamide?
The InChIKey is LUIYIQJWVNOWAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-2-16(21)19-12-5-8-14(17)15(9-12)18-10-11-3-6-13(20)7-4-11/h3-9,18,20H,2,10H2,1H3,(H,19,21).
What are the key properties of N-[4-chloro-3-[(4-hydroxyphenyl)methylamino]phenyl]propanamide?
N-[4-chloro-3-[(4-hydroxyphenyl)methylamino]phenyl]propanamide has a molecular weight of 304.78 g/mol, XLogP of 4.01, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-[(4-hydroxyphenyl)methylamino]phenyl]propanamide is sourced from PubChem (CID 43679042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).