N-(5-amino-2-fluorophenyl)-3-[[(S)-(4-chlorophenyl)-cyclopropylmethyl]amino]propanamide

C19H21ClFN3O — CID 97222318

IUPACN-(5-amino-2-fluorophenyl)-3-[[(S)-(4-chlorophenyl)-cyclopropylmethyl]amino]propanamide
SMILESNc1ccc(F)c(NC(=O)CCN[C@H](c2ccc(Cl)cc2)C2CC2)c1
InChIInChI=1S/C19H21ClFN3O/c20-14-5-3-13(4-6-14)19(12-1-2-12)23-10-9-18(25)24-17-11-15(22)7-8-16(17)21/h3-8,11-12,19,23H,1-2,9-10,22H2,(H,24,25)/t19-/m0/s1
InChIKeyPYANRDIOODUMIH-IBGZPJMESA-N
MW361.85 g/mol
LogP4.13
Rot. Bonds7

About N-(5-amino-2-fluorophenyl)-3-[[(S)-(4-chlorophenyl)-cyclopropylmethyl]amino]propanamide

N-(5-amino-2-fluorophenyl)-3-[[(S)-(4-chlorophenyl)-cyclopropylmethyl]amino]propanamide (PubChem CID 97222318) has the molecular formula C19H21ClFN3O and a molecular weight of 361.85 g/mol. Its IUPAC name is N-(5-amino-2-fluorophenyl)-3-[[(S)-(4-chlorophenyl)-cyclopropylmethyl]amino]propanamide.

Molecular Properties

Compound NameN-(5-amino-2-fluorophenyl)-3-[[(S)-(4-chlorophenyl)-cyclopropylmethyl]amino]propanamide
PubChem CID97222318
Molecular FormulaC19H21ClFN3O
Molecular Weight361.85 g/mol
Exact Mass361.14
IUPAC NameN-(5-amino-2-fluorophenyl)-3-[[(S)-(4-chlorophenyl)-cyclopropylmethyl]amino]propanamide
SMILESNc1ccc(F)c(NC(=O)CCN[C@H](c2ccc(Cl)cc2)C2CC2)c1
InChIInChI=1S/C19H21ClFN3O/c20-14-5-3-13(4-6-14)19(12-1-2-12)23-10-9-18(25)24-17-11-15(22)7-8-16(17)21/h3-8,11-12,19,23H,1-2,9-10,22H2,(H,24,25)/t19-/m0/s1
InChIKeyPYANRDIOODUMIH-IBGZPJMESA-N
XLogP4.13
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.85
LogP ≤ 54.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(4-benzylpiperidin-1-yl)-N-(2-chlorophenyl)propanamide
CID 14762591
N-(((3S,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl)methyl)cyclopropanecarboxamide
CID 46229866
N-(4-chlorophenyl)-3-(2-methylanilino)propanamide
CID 2129248
3-(3,5-bis(trifluoromethyl)benzylamino)-N-(4-chlorophenyl)propanamide
CID 46224823
3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-(2,4-difluorophenyl)propanamide
CID 44423618
N-cyclopropyl-3-[3,4-dichloro-N-[(4-fluorophenyl)methyl]anilino]propanamide
CID 126695321
3-[2-(4-Chlorophenyl)ethylamino]-1-(4-fluorophenyl)pyrrolidine-2,5-dione
CID 2877398
1-(3-chloro-4-fluorophenyl)-N-[2-(4-chlorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 3630368
1-(3-chloro-4-fluorophenyl)-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 5195232
N1-(4-chlorophenethyl)-N2-(3-fluoro-4-methylphenyl)oxalamide
CID 7585147
N'-[2-(4-chlorophenyl)ethyl]-N-(3,4-difluorophenyl)ethanediamide
CID 16824063
N-(4-chloro-2-fluorophenyl)-3-[(2-phenylacetyl)amino]propanamide
CID 17526275

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-fluorophenyl)-3-[[(S)-(4-chlorophenyl)-cyclopropylmethyl]amino]propanamide?
The IUPAC name of N-(5-amino-2-fluorophenyl)-3-[[(S)-(4-chlorophenyl)-cyclopropylmethyl]amino]propanamide (CID 97222318) is N-(5-amino-2-fluorophenyl)-3-[[(S)-(4-chlorophenyl)-cyclopropylmethyl]amino]propanamide.
What is the SMILES notation for N-(5-amino-2-fluorophenyl)-3-[[(S)-(4-chlorophenyl)-cyclopropylmethyl]amino]propanamide?
The canonical SMILES for N-(5-amino-2-fluorophenyl)-3-[[(S)-(4-chlorophenyl)-cyclopropylmethyl]amino]propanamide is Nc1ccc(F)c(NC(=O)CCN[C@H](c2ccc(Cl)cc2)C2CC2)c1.
What is the InChIKey of N-(5-amino-2-fluorophenyl)-3-[[(S)-(4-chlorophenyl)-cyclopropylmethyl]amino]propanamide?
The InChIKey is PYANRDIOODUMIH-IBGZPJMESA-N. The full InChI is InChI=1S/C19H21ClFN3O/c20-14-5-3-13(4-6-14)19(12-1-2-12)23-10-9-18(25)24-17-11-15(22)7-8-16(17)21/h3-8,11-12,19,23H,1-2,9-10,22H2,(H,24,25)/t19-/m0/s1.
What are the key properties of N-(5-amino-2-fluorophenyl)-3-[[(S)-(4-chlorophenyl)-cyclopropylmethyl]amino]propanamide?
N-(5-amino-2-fluorophenyl)-3-[[(S)-(4-chlorophenyl)-cyclopropylmethyl]amino]propanamide has a molecular weight of 361.85 g/mol, XLogP of 4.13, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-fluorophenyl)-3-[[(S)-(4-chlorophenyl)-cyclopropylmethyl]amino]propanamide is sourced from PubChem (CID 97222318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).