N-[[2-[(2-chlorophenoxy)methyl]phenyl]methyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride

C20H24Cl2N2O2 — CID 119800229

IUPACN-[[2-[(2-chlorophenoxy)methyl]phenyl]methyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride
SMILESCl.O=C(CNCC1CC1)NCc1ccccc1COc1ccccc1Cl
InChIInChI=1S/C20H23ClN2O2.ClH/c21-18-7-3-4-8-19(18)25-14-17-6-2-1-5-16(17)12-23-20(24)13-22-11-15-9-10-15;/h1-8,15,22H,9-14H2,(H,23,24);1H
InChIKeyANCMKBOSNDTMRA-UHFFFAOYSA-N
MW395.33 g/mol
LogP3.96
Rot. Bonds9

About N-[[2-[(2-chlorophenoxy)methyl]phenyl]methyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride

N-[[2-[(2-chlorophenoxy)methyl]phenyl]methyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride (PubChem CID 119800229) has the molecular formula C20H24Cl2N2O2 and a molecular weight of 395.33 g/mol. Its IUPAC name is N-[[2-[(2-chlorophenoxy)methyl]phenyl]methyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[[2-[(2-chlorophenoxy)methyl]phenyl]methyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride
PubChem CID119800229
Molecular FormulaC20H24Cl2N2O2
Molecular Weight395.33 g/mol
Exact Mass394.12
IUPAC NameN-[[2-[(2-chlorophenoxy)methyl]phenyl]methyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride
SMILESCl.O=C(CNCC1CC1)NCc1ccccc1COc1ccccc1Cl
InChIInChI=1S/C20H23ClN2O2.ClH/c21-18-7-3-4-8-19(18)25-14-17-6-2-1-5-16(17)12-23-20(24)13-22-11-15-9-10-15;/h1-8,15,22H,9-14H2,(H,23,24);1H
InChIKeyANCMKBOSNDTMRA-UHFFFAOYSA-N
XLogP3.96
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.33
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylmethylamino)-N-[[2-(propoxymethyl)phenyl]methyl]acetamide;hydrochloride
CID 119734225
N-[(3-chloro-2-fluorophenyl)methyl]-2-(cyclobutylmethylamino)acetamide
CID 130299685
4-amino-N-[[2-[(2-chlorophenoxy)methyl]phenyl]methyl]butanamide
CID 119333075
2-(cyclopropylmethylamino)-N-[(2-phenoxyphenyl)methyl]acetamide
CID 119756337
N-[[2-(4-chlorophenyl)phenyl]methyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119768238
N-[[2-[(2-chlorophenoxy)methyl]phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 119800227
2-amino-N-[[2-[(2-chlorophenoxy)methyl]phenyl]methyl]-2-methylpropanamide
CID 119333060
2-(cyclopropylmethylamino)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
CID 119697944
2-[2-[(2-chlorophenoxy)methyl]phenyl]acetic acid
CID 22366404
2-amino-N-[[2-[(2-chlorophenoxy)methyl]phenyl]methyl]pentanamide
CID 119333070
2-(cyclopropylmethylamino)-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]acetamide
CID 119838755
2-(cyclopropylmethylamino)-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide
CID 119846776

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2-chlorophenoxy)methyl]phenyl]methyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride?
The IUPAC name of N-[[2-[(2-chlorophenoxy)methyl]phenyl]methyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride (CID 119800229) is N-[[2-[(2-chlorophenoxy)methyl]phenyl]methyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride.
What is the SMILES notation for N-[[2-[(2-chlorophenoxy)methyl]phenyl]methyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride?
The canonical SMILES for N-[[2-[(2-chlorophenoxy)methyl]phenyl]methyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride is Cl.O=C(CNCC1CC1)NCc1ccccc1COc1ccccc1Cl.
What is the InChIKey of N-[[2-[(2-chlorophenoxy)methyl]phenyl]methyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride?
The InChIKey is ANCMKBOSNDTMRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O2.ClH/c21-18-7-3-4-8-19(18)25-14-17-6-2-1-5-16(17)12-23-20(24)13-22-11-15-9-10-15;/h1-8,15,22H,9-14H2,(H,23,24);1H.
What are the key properties of N-[[2-[(2-chlorophenoxy)methyl]phenyl]methyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride?
N-[[2-[(2-chlorophenoxy)methyl]phenyl]methyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride has a molecular weight of 395.33 g/mol, XLogP of 3.96, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2-chlorophenoxy)methyl]phenyl]methyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride is sourced from PubChem (CID 119800229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).