N-[4-(2-amino-2-ethylcyclopropyl)phenyl]-2-chloro-4-(1-hydroxyethylamino)benzamide

C20H24ClN3O2 — CID 141421194

IUPACN-[4-(2-amino-2-ethylcyclopropyl)phenyl]-2-chloro-4-(1-hydroxyethylamino)benzamide
SMILESCCC1(N)CC1c1ccc(NC(=O)c2ccc(NC(C)O)cc2Cl)cc1
InChIInChI=1S/C20H24ClN3O2/c1-3-20(22)11-17(20)13-4-6-14(7-5-13)24-19(26)16-9-8-15(10-18(16)21)23-12(2)25/h4-10,12,17,23,25H,3,11,22H2,1-2H3,(H,24,26)
InChIKeyYCDNKYVAGPFSLU-UHFFFAOYSA-N
MW373.88 g/mol
LogP3.94
Rot. Bonds6

About N-[4-(2-amino-2-ethylcyclopropyl)phenyl]-2-chloro-4-(1-hydroxyethylamino)benzamide

N-[4-(2-amino-2-ethylcyclopropyl)phenyl]-2-chloro-4-(1-hydroxyethylamino)benzamide (PubChem CID 141421194) has the molecular formula C20H24ClN3O2 and a molecular weight of 373.88 g/mol. Its IUPAC name is N-[4-(2-amino-2-ethylcyclopropyl)phenyl]-2-chloro-4-(1-hydroxyethylamino)benzamide.

Molecular Properties

Compound NameN-[4-(2-amino-2-ethylcyclopropyl)phenyl]-2-chloro-4-(1-hydroxyethylamino)benzamide
PubChem CID141421194
Molecular FormulaC20H24ClN3O2
Molecular Weight373.88 g/mol
Exact Mass373.16
IUPAC NameN-[4-(2-amino-2-ethylcyclopropyl)phenyl]-2-chloro-4-(1-hydroxyethylamino)benzamide
SMILESCCC1(N)CC1c1ccc(NC(=O)c2ccc(NC(C)O)cc2Cl)cc1
InChIInChI=1S/C20H24ClN3O2/c1-3-20(22)11-17(20)13-4-6-14(7-5-13)24-19(26)16-9-8-15(10-18(16)21)23-12(2)25/h4-10,12,17,23,25H,3,11,22H2,1-2H3,(H,24,26)
InChIKeyYCDNKYVAGPFSLU-UHFFFAOYSA-N
XLogP3.94
TPSA87.38 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.88
LogP ≤ 53.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(4-acetamidophenyl)-2,4-dichlorobenzamide
CID 786004
N-[4-(1-aminoethyl)phenyl]-2,4-dichlorobenzamide
CID 43321115
4-(butan-2-ylamino)-2-chlorobenzamide
CID 43736488
2-chloro-4-(3-methylpentan-2-ylamino)benzoic acid
CID 62945460
2-chloro-N-(4-ethylphenyl)-4-fluorobenzamide
CID 26697286
2,4-dichloro-N-[4-(1,3-dithiolan-2-yl)phenyl]benzamide
CID 2819049
N-(4-butan-2-yloxyphenyl)-2,4-dichlorobenzamide
CID 17160527
N-[4-[[2-(1-adamantyl)acetyl]amino]phenyl]-2,4-dichlorobenzamide
CID 4032449
2,4-dichloro-N-(4-sulfanylphenyl)benzamide
CID 143459356
N-[4-(1-adamantyl)phenyl]-2,4-dichlorobenzamide
CID 4545545
4-amino-2-chloro-N-[3-[(1S)-1-hydroxyethyl]phenyl]benzamide
CID 100803624
ethyl (E)-3-[4-[(2,4-dichlorobenzoyl)amino]phenyl]prop-2-enoate
CID 27054357

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-2-ethylcyclopropyl)phenyl]-2-chloro-4-(1-hydroxyethylamino)benzamide?
The IUPAC name of N-[4-(2-amino-2-ethylcyclopropyl)phenyl]-2-chloro-4-(1-hydroxyethylamino)benzamide (CID 141421194) is N-[4-(2-amino-2-ethylcyclopropyl)phenyl]-2-chloro-4-(1-hydroxyethylamino)benzamide.
What is the SMILES notation for N-[4-(2-amino-2-ethylcyclopropyl)phenyl]-2-chloro-4-(1-hydroxyethylamino)benzamide?
The canonical SMILES for N-[4-(2-amino-2-ethylcyclopropyl)phenyl]-2-chloro-4-(1-hydroxyethylamino)benzamide is CCC1(N)CC1c1ccc(NC(=O)c2ccc(NC(C)O)cc2Cl)cc1.
What is the InChIKey of N-[4-(2-amino-2-ethylcyclopropyl)phenyl]-2-chloro-4-(1-hydroxyethylamino)benzamide?
The InChIKey is YCDNKYVAGPFSLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O2/c1-3-20(22)11-17(20)13-4-6-14(7-5-13)24-19(26)16-9-8-15(10-18(16)21)23-12(2)25/h4-10,12,17,23,25H,3,11,22H2,1-2H3,(H,24,26).
What are the key properties of N-[4-(2-amino-2-ethylcyclopropyl)phenyl]-2-chloro-4-(1-hydroxyethylamino)benzamide?
N-[4-(2-amino-2-ethylcyclopropyl)phenyl]-2-chloro-4-(1-hydroxyethylamino)benzamide has a molecular weight of 373.88 g/mol, XLogP of 3.94, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-2-ethylcyclopropyl)phenyl]-2-chloro-4-(1-hydroxyethylamino)benzamide is sourced from PubChem (CID 141421194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).