N-(2-aminoethyl)-3-chloro-N-(1-phenylethyl)-4-phenylmethoxybenzamide

C24H25ClN2O2 — CID 71215029

IUPACN-(2-aminoethyl)-3-chloro-N-(1-phenylethyl)-4-phenylmethoxybenzamide
SMILESCC(c1ccccc1)N(CCN)C(=O)c1ccc(OCc2ccccc2)c(Cl)c1
InChIInChI=1S/C24H25ClN2O2/c1-18(20-10-6-3-7-11-20)27(15-14-26)24(28)21-12-13-23(22(25)16-21)29-17-19-8-4-2-5-9-19/h2-13,16,18H,14-15,17,26H2,1H3
InChIKeySHTCTUBQTCYQLR-UHFFFAOYSA-N
MW408.93 g/mol
LogP5.08
Rot. Bonds8

About N-(2-aminoethyl)-3-chloro-N-(1-phenylethyl)-4-phenylmethoxybenzamide

N-(2-aminoethyl)-3-chloro-N-(1-phenylethyl)-4-phenylmethoxybenzamide (PubChem CID 71215029) has the molecular formula C24H25ClN2O2 and a molecular weight of 408.93 g/mol. Its IUPAC name is N-(2-aminoethyl)-3-chloro-N-(1-phenylethyl)-4-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-3-chloro-N-(1-phenylethyl)-4-phenylmethoxybenzamide
PubChem CID71215029
Molecular FormulaC24H25ClN2O2
Molecular Weight408.93 g/mol
Exact Mass408.16
IUPAC NameN-(2-aminoethyl)-3-chloro-N-(1-phenylethyl)-4-phenylmethoxybenzamide
SMILESCC(c1ccccc1)N(CCN)C(=O)c1ccc(OCc2ccccc2)c(Cl)c1
InChIInChI=1S/C24H25ClN2O2/c1-18(20-10-6-3-7-11-20)27(15-14-26)24(28)21-12-13-23(22(25)16-21)29-17-19-8-4-2-5-9-19/h2-13,16,18H,14-15,17,26H2,1H3
InChIKeySHTCTUBQTCYQLR-UHFFFAOYSA-N
XLogP5.08
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.93
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-aminoethyl)-3-chloro-N-(1-phenylethyl)-4-phenylmethoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-1-(3-chloro-4-phenylmethoxyphenyl)propan-1-one
CID 117468024
3-chloro-4-phenylmethoxybenzoic acid;hydrochloride
CID 67898851
2-aminoethyl-[(3-methoxy-4-phenylmethoxyphenyl)-phenylmethyl]carbamic acid
CID 69394219
1-[3-[(1R)-3-amino-1-phenylpropyl]-4-phenylmethoxyphenyl]ethanone
CID 70277293
1-(2-aminoethyl)-1-[(3-chloro-4-phenylmethoxyphenyl)methyl]-3-[1-(4-fluorophenyl)ethyl]urea
CID 69411081
4-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-(1-phenylethyl)benzamide
CID 42695710
(3-chloro-4-phenylmethoxyphenyl)-cyclopropylmethanone
CID 82550709
1-(2-aminoethyl)-1-[(3-chloro-4-phenylmethoxyphenyl)methyl]-3-[1-(4-fluorophenyl)ethyl]urea;hydrochloride
CID 69411080
ethyl 2-[(3-chloro-4-phenylmethoxybenzenecarbothioyl)-methylamino]acetate
CID 110188810
3-chloro-N'-hydroxy-4-phenylmethoxybenzenecarboximidamide
CID 76899274
N-(2-aminoethyl)-N-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-3-methoxy-4-phenylmethoxybenzamide
CID 143404845
1-[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]ethanone
CID 65125936

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3-chloro-N-(1-phenylethyl)-4-phenylmethoxybenzamide?
The IUPAC name of N-(2-aminoethyl)-3-chloro-N-(1-phenylethyl)-4-phenylmethoxybenzamide (CID 71215029) is N-(2-aminoethyl)-3-chloro-N-(1-phenylethyl)-4-phenylmethoxybenzamide.
What is the SMILES notation for N-(2-aminoethyl)-3-chloro-N-(1-phenylethyl)-4-phenylmethoxybenzamide?
The canonical SMILES for N-(2-aminoethyl)-3-chloro-N-(1-phenylethyl)-4-phenylmethoxybenzamide is CC(c1ccccc1)N(CCN)C(=O)c1ccc(OCc2ccccc2)c(Cl)c1.
What is the InChIKey of N-(2-aminoethyl)-3-chloro-N-(1-phenylethyl)-4-phenylmethoxybenzamide?
The InChIKey is SHTCTUBQTCYQLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN2O2/c1-18(20-10-6-3-7-11-20)27(15-14-26)24(28)21-12-13-23(22(25)16-21)29-17-19-8-4-2-5-9-19/h2-13,16,18H,14-15,17,26H2,1H3.
What are the key properties of N-(2-aminoethyl)-3-chloro-N-(1-phenylethyl)-4-phenylmethoxybenzamide?
N-(2-aminoethyl)-3-chloro-N-(1-phenylethyl)-4-phenylmethoxybenzamide has a molecular weight of 408.93 g/mol, XLogP of 5.08, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-3-chloro-N-(1-phenylethyl)-4-phenylmethoxybenzamide is sourced from PubChem (CID 71215029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).