4-[4-(anilinomethyl)phenoxy]-3-chlorobenzamide

C20H17ClN2O2 — CID 174444931

IUPAC4-[4-(anilinomethyl)phenoxy]-3-chlorobenzamide
SMILESNC(=O)c1ccc(Oc2ccc(CNc3ccccc3)cc2)c(Cl)c1
InChIInChI=1S/C20H17ClN2O2/c21-18-12-15(20(22)24)8-11-19(18)25-17-9-6-14(7-10-17)13-23-16-4-2-1-3-5-16/h1-12,23H,13H2,(H2,22,24)
InChIKeyYDMLCUHXNIJOSW-UHFFFAOYSA-N
MW352.82 g/mol
LogP4.84
Rot. Bonds6

About 4-[4-(anilinomethyl)phenoxy]-3-chlorobenzamide

4-[4-(anilinomethyl)phenoxy]-3-chlorobenzamide (PubChem CID 174444931) has the molecular formula C20H17ClN2O2 and a molecular weight of 352.82 g/mol. Its IUPAC name is 4-[4-(anilinomethyl)phenoxy]-3-chlorobenzamide.

Molecular Properties

Compound Name4-[4-(anilinomethyl)phenoxy]-3-chlorobenzamide
PubChem CID174444931
Molecular FormulaC20H17ClN2O2
Molecular Weight352.82 g/mol
Exact Mass352.10
IUPAC Name4-[4-(anilinomethyl)phenoxy]-3-chlorobenzamide
SMILESNC(=O)c1ccc(Oc2ccc(CNc3ccccc3)cc2)c(Cl)c1
InChIInChI=1S/C20H17ClN2O2/c21-18-12-15(20(22)24)8-11-19(18)25-17-9-6-14(7-10-17)13-23-16-4-2-1-3-5-16/h1-12,23H,13H2,(H2,22,24)
InChIKeyYDMLCUHXNIJOSW-UHFFFAOYSA-N
XLogP4.84
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.82
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-chloro-4-[(4-phenoxyanilino)methyl]phenoxy]acetamide
CID 2992439
4-[2-chloro-4-(ethylaminomethyl)phenoxy]benzamide
CID 81152006
4-[4-[(benzylamino)methyl]phenoxy]benzamide
CID 59730151
4-[2-chloro-4-[(3-methylbutylamino)methyl]phenoxy]benzamide
CID 59730026
4-[(3,4-dichloroanilino)methyl]benzamide
CID 28577960
3-[[3-chloro-4-(difluoromethoxy)phenyl]methylamino]benzamide
CID 71913606
3-chloro-4-phenoxybenzenecarbothioamide
CID 63087310
4-[(carbamoylamino)methyl]-N-[4-(2-chlorophenoxy)phenyl]benzamide
CID 46649852
3-chloro-4-(3-hydroxy-5-methylphenoxy)benzamide
CID 107680944
4-[4-[[(2,6-dichlorophenyl)methylamino]methyl]phenoxy]benzamide
CID 68748456
5-chloro-2-[(4-phenoxyphenyl)methylamino]benzamide
CID 141087482
N-[(3-chloro-4-ethoxyphenyl)methyl]-4-phenoxyaniline
CID 126124597

Frequently Asked Questions

What is the IUPAC name of 4-[4-(anilinomethyl)phenoxy]-3-chlorobenzamide?
The IUPAC name of 4-[4-(anilinomethyl)phenoxy]-3-chlorobenzamide (CID 174444931) is 4-[4-(anilinomethyl)phenoxy]-3-chlorobenzamide.
What is the SMILES notation for 4-[4-(anilinomethyl)phenoxy]-3-chlorobenzamide?
The canonical SMILES for 4-[4-(anilinomethyl)phenoxy]-3-chlorobenzamide is NC(=O)c1ccc(Oc2ccc(CNc3ccccc3)cc2)c(Cl)c1.
What is the InChIKey of 4-[4-(anilinomethyl)phenoxy]-3-chlorobenzamide?
The InChIKey is YDMLCUHXNIJOSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O2/c21-18-12-15(20(22)24)8-11-19(18)25-17-9-6-14(7-10-17)13-23-16-4-2-1-3-5-16/h1-12,23H,13H2,(H2,22,24).
What are the key properties of 4-[4-(anilinomethyl)phenoxy]-3-chlorobenzamide?
4-[4-(anilinomethyl)phenoxy]-3-chlorobenzamide has a molecular weight of 352.82 g/mol, XLogP of 4.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(anilinomethyl)phenoxy]-3-chlorobenzamide is sourced from PubChem (CID 174444931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).